5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide

C20H25N5O2 — CID 18357243

IUPAC5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
SMILESNC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c21-18(26)16(12-7-13-24-20(22)23)25-19(27)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,21,26)(H,25,27)(H4,22,23,24)
InChIKeyCCXQVUPLCBFCCL-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.84
Rot. Bonds9

About 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide

5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide (PubChem CID 18357243) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
PubChem CID18357243
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
SMILESNC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c21-18(26)16(12-7-13-24-20(22)23)25-19(27)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,21,26)(H,25,27)(H4,22,23,24)
InChIKeyCCXQVUPLCBFCCL-UHFFFAOYSA-N
XLogP0.84
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-phenylethyl]pentanamide
CID 102509163
2-[[(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]acetic acid
CID 54005681
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide
CID 70140862
N-[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanoyl]-4-hydroxybenzamide
CID 67994458
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride
CID 141009397
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-methyl-N-(2-phenylethyl)pentanamide
CID 70280595
(2R)-5-(diaminomethylideneamino)-N-[(2,6-dichloro-4-hydroxyphenyl)methyl]-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 175613933
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 69129765
(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide
CID 54186438
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
CID 2724353
benzyl N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
CID 25082488
(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide;bis(2,2,2-trifluoroacetic acid)
CID 122705981

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide (CID 18357243) is 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide is NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide?
The InChIKey is CCXQVUPLCBFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-18(26)16(12-7-13-24-20(22)23)25-19(27)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,21,26)(H,25,27)(H4,22,23,24).
What are the key properties of 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide?
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide has a molecular weight of 367.45 g/mol, XLogP of 0.84, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide is sourced from PubChem (CID 18357243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).