4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide

C15H22N2O — CID 11382839

IUPAC4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NC[C@H]1CCCN1
InChIInChI=1S/C15H22N2O/c18-15(17-12-14-9-5-11-16-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeySLTHGGAORXGGDY-CQSZACIVSA-N
MW246.35 g/mol
LogP1.88
Rot. Bonds6

About 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide

4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide (PubChem CID 11382839) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
PubChem CID11382839
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NC[C@H]1CCCN1
InChIInChI=1S/C15H22N2O/c18-15(17-12-14-9-5-11-16-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeySLTHGGAORXGGDY-CQSZACIVSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(morpholin-3-ylmethyl)-4-phenylbutanamide
CID 103548407
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
N-[(3-aminocyclobutyl)methyl]-4-phenylbutanamide
CID 66004709

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
The IUPAC name of 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide (CID 11382839) is 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide is O=C(CCCc1ccccc1)NC[C@H]1CCCN1.
What is the InChIKey of 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
The InChIKey is SLTHGGAORXGGDY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15(17-12-14-9-5-11-16-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide?
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide has a molecular weight of 246.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide is sourced from PubChem (CID 11382839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).