2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide

C29H34N2O — CID 70304083

IUPAC2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCCc2ccccc2)C1
InChIInChI=1S/C29H34N2O/c30-28(32)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-20-27(22-26)31-21-11-10-14-23-12-4-1-5-13-23/h1-9,12-13,15-18,26-27,31H,10-11,14,19-22H2,(H2,30,32)
InChIKeyPWHXNFAYVLUUMF-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.24
Rot. Bonds10

About 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide

2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide (PubChem CID 70304083) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
PubChem CID70304083
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCCc2ccccc2)C1
InChIInChI=1S/C29H34N2O/c30-28(32)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-20-27(22-26)31-21-11-10-14-23-12-4-1-5-13-23/h1-9,12-13,15-18,26-27,31H,10-11,14,19-22H2,(H2,30,32)
InChIKeyPWHXNFAYVLUUMF-UHFFFAOYSA-N
XLogP5.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
CID 70303123
2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide
CID 70300394
4-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11408589
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide
CID 70302941

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide?
The IUPAC name of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide (CID 70304083) is 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide?
The canonical SMILES for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide is NC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCCc2ccccc2)C1.
What is the InChIKey of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide?
The InChIKey is PWHXNFAYVLUUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c30-28(32)29(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-20-27(22-26)31-21-11-10-14-23-12-4-1-5-13-23/h1-9,12-13,15-18,26-27,31H,10-11,14,19-22H2,(H2,30,32).
What are the key properties of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide?
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide has a molecular weight of 426.60 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide is sourced from PubChem (CID 70304083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).