5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide

C25H31N3O2 — CID 4302444

IUPAC5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-18(19-9-3-2-4-10-19)26-25(30)22-17-21(27-24(29)20-11-5-6-12-20)13-14-23(22)28-15-7-8-16-28/h2-4,9-10,13-14,17-18,20H,5-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyBZCSFDFQYSKOPK-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.91
Rot. Bonds6

About 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide

5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 4302444) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID4302444
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-18(19-9-3-2-4-10-19)26-25(30)22-17-21(27-24(29)20-11-5-6-12-20)13-14-23(22)28-15-7-8-16-28/h2-4,9-10,13-14,17-18,20H,5-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyBZCSFDFQYSKOPK-UHFFFAOYSA-N
XLogP4.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
tert-butyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 46185969
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
5-[[(2S)-2-chloropropanoyl]amino]-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066160
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
N-butan-2-yl-5-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 5238984
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 3959596
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide (CID 4302444) is 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide is CC(NC(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BZCSFDFQYSKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(19-9-3-2-4-10-19)26-25(30)22-17-21(27-24(29)20-11-5-6-12-20)13-14-23(22)28-15-7-8-16-28/h2-4,9-10,13-14,17-18,20H,5-8,11-12,15-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 405.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4302444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).