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

C21H30N2O — CID 45271001

IUPACN-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C21H30N2O/c24-21(20-11-4-3-10-19(20)17-8-1-2-9-17)23(15-16-6-5-7-16)18-12-13-22-14-18/h3-4,10-11,16-18,22H,1-2,5-9,12-15H2/t18-/m0/s1
InChIKeyYFOORSARAMYVQM-SFHVURJKSA-N
MW326.48 g/mol
LogP3.95
Rot. Bonds5

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

N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 45271001) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID45271001
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C21H30N2O/c24-21(20-11-4-3-10-19(20)17-8-1-2-9-17)23(15-16-6-5-7-16)18-12-13-22-14-18/h3-4,10-11,16-18,22H,1-2,5-9,12-15H2/t18-/m0/s1
InChIKeyYFOORSARAMYVQM-SFHVURJKSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
2-cyclobutyl-N-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68913357
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915
ethyl 2-cyclobutylbenzoate
CID 106942755
2-phenoxy-N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 72983499
2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 46883498
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 45271001) is N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1C1CCCC1)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is YFOORSARAMYVQM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O/c24-21(20-11-4-3-10-19(20)17-8-1-2-9-17)23(15-16-6-5-7-16)18-12-13-22-14-18/h3-4,10-11,16-18,22H,1-2,5-9,12-15H2/t18-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 326.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-cyclopentyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).