2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C20H28N2O — CID 68913357

IUPAC2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1C1CCC1)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C20H28N2O/c23-20(19-11-4-3-10-18(19)15-6-5-7-15)22(16-8-1-2-9-16)17-12-13-21-14-17/h3-4,10-11,15-17,21H,1-2,5-9,12-14H2/t17-/m0/s1
InChIKeyNPRAIADVLUKFAF-KRWDZBQOSA-N
MW312.46 g/mol
LogP3.70
Rot. Bonds4

About 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide

2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 68913357) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID68913357
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1C1CCC1)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C20H28N2O/c23-20(19-11-4-3-10-18(19)15-6-5-7-15)22(16-8-1-2-9-16)17-12-13-21-14-17/h3-4,10-11,15-17,21H,1-2,5-9,12-14H2/t17-/m0/s1
InChIKeyNPRAIADVLUKFAF-KRWDZBQOSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 45271001
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
N-[(1S,5R)-3-bicyclo[3.2.0]heptanyl]-2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11588392
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
ethyl 2-cyclobutylbenzoate
CID 106942755
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
N-(2-bicyclo[2.2.1]heptanyl)-N-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11610012
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 68913357) is 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1C1CCC1)N(C1CCCC1)[C@H]1CCNC1.
What is the InChIKey of 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is NPRAIADVLUKFAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O/c23-20(19-11-4-3-10-18(19)15-6-5-7-15)22(16-8-1-2-9-16)17-12-13-21-14-17/h3-4,10-11,15-17,21H,1-2,5-9,12-14H2/t17-/m0/s1.
What are the key properties of 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 312.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).