4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C22H27N3O2 — CID 31331095

IUPAC4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-15-18-9-11-20(12-10-18)22(27)24-16-21(25-13-5-6-14-25)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyJZZCINQVWNNJKT-NRFANRHFSA-N
MW365.48 g/mol
LogP2.89
Rot. Bonds7

About 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 31331095) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID31331095
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17(26)23-15-18-9-11-20(12-10-18)22(27)24-16-21(25-13-5-6-14-25)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyJZZCINQVWNNJKT-NRFANRHFSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 46650781
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42907270
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
N,N-dimethyl-4-[[[N'-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111326359
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 31331095) is 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is JZZCINQVWNNJKT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(26)23-15-18-9-11-20(12-10-18)22(27)24-16-21(25-13-5-6-14-25)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1.
What are the key properties of 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 31331095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).