(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide

C33H32N2O — CID 11420067

IUPAC(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H](N=C(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C33H32N2O/c36-33(35-31(27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(29-23-13-14-24-29)34-30(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-12,15-22,29,31-32H,13-14,23-24H2,(H,35,36)/t32-/m1/s1
InChIKeyRHBSTYHAGNHXSE-JGCGQSQUSA-N
MW472.63 g/mol
LogP6.99
Rot. Bonds8

About (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide

(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide (PubChem CID 11420067) has the molecular formula C33H32N2O and a molecular weight of 472.63 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide
PubChem CID11420067
Molecular FormulaC33H32N2O
Molecular Weight472.63 g/mol
Exact Mass472.25
IUPAC Name(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H](N=C(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C33H32N2O/c36-33(35-31(27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(29-23-13-14-24-29)34-30(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-12,15-22,29,31-32H,13-14,23-24H2,(H,35,36)/t32-/m1/s1
InChIKeyRHBSTYHAGNHXSE-JGCGQSQUSA-N
XLogP6.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
methyl 3-[[[(1R)-1-cyclohexylethyl]amino]-phenylmethyl]benzoate
CID 139837992
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide?
The IUPAC name of (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide (CID 11420067) is (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide?
The canonical SMILES for (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H](N=C(c1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide?
The InChIKey is RHBSTYHAGNHXSE-JGCGQSQUSA-N. The full InChI is InChI=1S/C33H32N2O/c36-33(35-31(27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(29-23-13-14-24-29)34-30(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-12,15-22,29,31-32H,13-14,23-24H2,(H,35,36)/t32-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide?
(2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide has a molecular weight of 472.63 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-(benzhydrylideneamino)-2-cyclopentylacetamide is sourced from PubChem (CID 11420067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).