(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide

C34H37N5O2 — CID 54186438

IUPAC(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide
SMILESNC(N)=NCCC[C@H](NCC(c1ccccc1)c1ccccc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N5O2/c35-34(36)37-23-13-22-30(38-24-29(25-14-5-1-6-15-25)26-16-7-2-8-17-26)32(40)39-33(41)31(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21,29-31,38H,13,22-24H2,(H4,35,36,37)(H,39,40,41)/t30-/m0/s1
InChIKeyPFKQXKMBWKOOJL-PMERELPUSA-N
MW547.70 g/mol
LogP4.31
Rot. Bonds13

About (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide

(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide (PubChem CID 54186438) has the molecular formula C34H37N5O2 and a molecular weight of 547.70 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide
PubChem CID54186438
Molecular FormulaC34H37N5O2
Molecular Weight547.70 g/mol
Exact Mass547.29
IUPAC Name(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide
SMILESNC(N)=NCCC[C@H](NCC(c1ccccc1)c1ccccc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N5O2/c35-34(36)37-23-13-22-30(38-24-29(25-14-5-1-6-15-25)26-16-7-2-8-17-26)32(40)39-33(41)31(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21,29-31,38H,13,22-24H2,(H4,35,36,37)(H,39,40,41)/t30-/m0/s1
InChIKeyPFKQXKMBWKOOJL-PMERELPUSA-N
XLogP4.31
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.70
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 18357243
(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-[[4-(methylsulfamoylmethyl)phenyl]methylamino]pentanamide
CID 67615186
N-[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanoyl]-4-hydroxybenzamide
CID 67994458
2-[[(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]acetic acid
CID 54005681
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(1S)-1-phenylethyl]pentanamide
CID 102509163
(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2-oxo-3,3-diphenylpropyl)amino]pentanamide
CID 67615104
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide
CID 70140862
(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
(2S)-2-[(1-benzhydryl-2-oxopyridine-3-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25158029
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide (CID 54186438) is (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide is NC(N)=NCCC[C@H](NCC(c1ccccc1)c1ccccc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide?
The InChIKey is PFKQXKMBWKOOJL-PMERELPUSA-N. The full InChI is InChI=1S/C34H37N5O2/c35-34(36)37-23-13-22-30(38-24-29(25-14-5-1-6-15-25)26-16-7-2-8-17-26)32(40)39-33(41)31(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-12,14-21,29-31,38H,13,22-24H2,(H4,35,36,37)(H,39,40,41)/t30-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide?
(2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide has a molecular weight of 547.70 g/mol, XLogP of 4.31, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-N-(2,2-diphenylacetyl)-2-(2,2-diphenylethylamino)pentanamide is sourced from PubChem (CID 54186438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).