N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide

C94H124N22O14 — CID 172953339

IUPACN'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(/C(C)=N/N=C(N)N)c2)cc(C(C)=O)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C33H48N14O3.C31H40N6O5.C30H36N2O6/c1-19(42-45-31(34)35)23-13-24(20(2)43-46-32(36)37)16-27(15-23)40-29(49)11-9-7-5-6-8-10-12-30(50)41-28-17-25(14-26(18-28)22(4)48)21(3)44-47-33(38)39;1-19(36-37-31(32)33)23-13-24(20(2)38)16-27(15-23)34-29(41)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)39)14-26(18-28)22(4)40;1-19(33)23-13-24(20(2)34)16-27(15-23)31-29(37)11-9-7-5-6-8-10-12-30(38)32-28-17-25(21(3)35)14-26(18-28)22(4)36/h13-18H,5-12H2,1-4H3,(H,40,49)(H,41,50)(H4,34,35,45)(H4,36,37,46)(H4,38,39,47);13-18H,5-12H2,1-4H3,(H,34,41)(H,35,42)(H4,32,33,37);13-18H,5-12H2,1-4H3,(H,31,37)(H,32,38)/b42-19+,43-20+,44-21+;36-19+;
InChIKeyGIMVFOQSXIUUTB-SLBNFNHXSA-N
MW1786.17 g/mol
LogP13.76
Rot. Bonds49

About N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide

N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide (PubChem CID 172953339) has the molecular formula C94H124N22O14 and a molecular weight of 1786.17 g/mol. Its IUPAC name is N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide.

Molecular Properties

Compound NameN'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
PubChem CID172953339
Molecular FormulaC94H124N22O14
Molecular Weight1786.17 g/mol
Exact Mass1784.97
IUPAC NameN'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(/C(C)=N/N=C(N)N)c2)cc(C(C)=O)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C33H48N14O3.C31H40N6O5.C30H36N2O6/c1-19(42-45-31(34)35)23-13-24(20(2)43-46-32(36)37)16-27(15-23)40-29(49)11-9-7-5-6-8-10-12-30(50)41-28-17-25(14-26(18-28)22(4)48)21(3)44-47-33(38)39;1-19(36-37-31(32)33)23-13-24(20(2)38)16-27(15-23)34-29(41)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)39)14-26(18-28)22(4)40;1-19(33)23-13-24(20(2)34)16-27(15-23)31-29(37)11-9-7-5-6-8-10-12-30(38)32-28-17-25(21(3)35)14-26(18-28)22(4)36/h13-18H,5-12H2,1-4H3,(H,40,49)(H,41,50)(H4,34,35,45)(H4,36,37,46)(H4,38,39,47);13-18H,5-12H2,1-4H3,(H,34,41)(H,35,42)(H4,32,33,37);13-18H,5-12H2,1-4H3,(H,31,37)(H,32,38)/b42-19+,43-20+,44-21+;36-19+;
InChIKeyGIMVFOQSXIUUTB-SLBNFNHXSA-N
XLogP13.76
TPSA618.20 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds49
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001786.17
LogP ≤ 513.76
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-azido-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide
CID 86300974
N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanamide;N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]formamide
CID 143363498
N'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]acetamide;hydrochloride
CID 45265177
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869
N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide
CID 172923908
3-N,5-N-bis[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]pyridine-3,5-dicarboxamide
CID 10212250
4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[4-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]anilino]-4-oxobutyl]benzamide
CID 10140542
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
1-N'-[3,5-bis[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-N'-(3,5-diacetylphenyl)-1-N,4-N-bis(diaminomethylideneamino)butanediimidamide;tetrahydrochloride
CID 173193896

Frequently Asked Questions

What is the IUPAC name of N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide?
The IUPAC name of N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide (CID 172953339) is N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide.
What is the SMILES notation for N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide?
The canonical SMILES for N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide is CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(/C(C)=N/N=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(/C(C)=N/N=C(N)N)c2)cc(C(C)=O)c1.CC(=O)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1.
What is the InChIKey of N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide?
The InChIKey is GIMVFOQSXIUUTB-SLBNFNHXSA-N. The full InChI is InChI=1S/C33H48N14O3.C31H40N6O5.C30H36N2O6/c1-19(42-45-31(34)35)23-13-24(20(2)43-46-32(36)37)16-27(15-23)40-29(49)11-9-7-5-6-8-10-12-30(50)41-28-17-25(14-26(18-28)22(4)48)21(3)44-47-33(38)39;1-19(36-37-31(32)33)23-13-24(20(2)38)16-27(15-23)34-29(41)11-9-7-5-6-8-10-12-30(42)35-28-17-25(21(3)39)14-26(18-28)22(4)40;1-19(33)23-13-24(20(2)34)16-27(15-23)31-29(37)11-9-7-5-6-8-10-12-30(38)32-28-17-25(21(3)35)14-26(18-28)22(4)36/h13-18H,5-12H2,1-4H3,(H,40,49)(H,41,50)(H4,34,35,45)(H4,36,37,46)(H4,38,39,47);13-18H,5-12H2,1-4H3,(H,34,41)(H,35,42)(H4,32,33,37);13-18H,5-12H2,1-4H3,(H,31,37)(H,32,38)/b42-19+,43-20+,44-21+;36-19+;.
What are the key properties of N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide?
N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide has a molecular weight of 1786.17 g/mol, XLogP of 13.76, 49 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide is sourced from PubChem (CID 172953339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).