N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide

C62H62N14O4 — CID 143915592

IUPACN-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
SMILESCn1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5c(ccn5C)c4)cc3)ccc21.Cn1ccc2ccc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5ccn(C)c5c4)cc3)cc21
InChIInChI=1S/2C31H31N7O2/c1-37-16-13-25-18-22(5-11-28(25)37)20-33-35-30(39)4-3-15-32-27-9-7-24(8-10-27)31(40)36-34-21-23-6-12-29-26(19-23)14-17-38(29)2;1-37-16-13-24-7-5-22(18-28(24)37)20-33-35-30(39)4-3-15-32-27-11-9-26(10-12-27)31(40)36-34-21-23-6-8-25-14-17-38(2)29(25)19-23/h2*5-14,16-21,32H,3-4,15H2,1-2H3,(H,35,39)(H,36,40)/b2*33-20+,34-21+
InChIKeyJGIBSUGPWQOKGC-AJGVLVACSA-N
MW1067.27 g/mol
LogP9.55
Rot. Bonds20

About N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide

N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide (PubChem CID 143915592) has the molecular formula C62H62N14O4 and a molecular weight of 1067.27 g/mol. Its IUPAC name is N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
PubChem CID143915592
Molecular FormulaC62H62N14O4
Molecular Weight1067.27 g/mol
Exact Mass1066.51
IUPAC NameN-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
SMILESCn1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5c(ccn5C)c4)cc3)ccc21.Cn1ccc2ccc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5ccn(C)c5c4)cc3)cc21
InChIInChI=1S/2C31H31N7O2/c1-37-16-13-25-18-22(5-11-28(25)37)20-33-35-30(39)4-3-15-32-27-9-7-24(8-10-27)31(40)36-34-21-23-6-12-29-26(19-23)14-17-38(29)2;1-37-16-13-24-7-5-22(18-28(24)37)20-33-35-30(39)4-3-15-32-27-11-9-26(10-12-27)31(40)36-34-21-23-6-8-25-14-17-38(2)29(25)19-23/h2*5-14,16-21,32H,3-4,15H2,1-2H3,(H,35,39)(H,36,40)/b2*33-20+,34-21+
InChIKeyJGIBSUGPWQOKGC-AJGVLVACSA-N
XLogP9.55
TPSA209.62 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001067.27
LogP ≤ 59.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide with MolForge

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Related Compounds

N-[(E)-(3,5-dimethylphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3,5-dimethylphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;ethane
CID 143915628
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 44621289
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419
N-[[3-(dimethylamino)phenyl]methylideneamino]-4-[[4-[2-[[3-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68905297
4-[[4-oxo-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]butyl]amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 89119485
N-[(E)-(3-cyanophenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-cyanophenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 44621355
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-[[3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]amino]benzamide
CID 143915664
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide?
The IUPAC name of N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide (CID 143915592) is N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide.
What is the SMILES notation for N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide?
The canonical SMILES for N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide is Cn1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5c(ccn5C)c4)cc3)ccc21.Cn1ccc2ccc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5ccn(C)c5c4)cc3)cc21.
What is the InChIKey of N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide?
The InChIKey is JGIBSUGPWQOKGC-AJGVLVACSA-N. The full InChI is InChI=1S/2C31H31N7O2/c1-37-16-13-25-18-22(5-11-28(25)37)20-33-35-30(39)4-3-15-32-27-9-7-24(8-10-27)31(40)36-34-21-23-6-12-29-26(19-23)14-17-38(29)2;1-37-16-13-24-7-5-22(18-28(24)37)20-33-35-30(39)4-3-15-32-27-11-9-26(10-12-27)31(40)36-34-21-23-6-8-25-14-17-38(2)29(25)19-23/h2*5-14,16-21,32H,3-4,15H2,1-2H3,(H,35,39)(H,36,40)/b2*33-20+,34-21+.
What are the key properties of N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide?
N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide has a molecular weight of 1067.27 g/mol, XLogP of 9.55, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylindol-5-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-5-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(1-methylindol-6-yl)methylideneamino]-4-[[4-[(2E)-2-[(1-methylindol-6-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide is sourced from PubChem (CID 143915592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).