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

C19H28N2O — CID 68918145

IUPAC2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCCN(C(=O)c1ccccc1C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C19H28N2O/c1-2-13-21(16-11-12-20-14-16)19(22)18-10-6-5-9-17(18)15-7-3-4-8-15/h5-6,9-10,15-16,20H,2-4,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyKYEBCQAFZCHTEX-INIZCTEOSA-N
MW300.45 g/mol
LogP3.56
Rot. Bonds5

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

2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 68918145) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID68918145
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCCN(C(=O)c1ccccc1C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C19H28N2O/c1-2-13-21(16-11-12-20-14-16)19(22)18-10-6-5-9-17(18)15-7-3-4-8-15/h5-6,9-10,15-16,20H,2-4,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyKYEBCQAFZCHTEX-INIZCTEOSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.56
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-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68913357
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60806852
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 68918145) is 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CCCN(C(=O)c1ccccc1C1CCCC1)[C@H]1CCNC1.
What is the InChIKey of 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is KYEBCQAFZCHTEX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-13-21(16-11-12-20-14-16)19(22)18-10-6-5-9-17(18)15-7-3-4-8-15/h5-6,9-10,15-16,20H,2-4,7-8,11-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 300.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68918145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).