1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide

C15H22N2O2 — CID 110904280

IUPAC1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CO)NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(11-18)16-15(19)14-8-5-9-17(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19)
InChIKeyOLEGCLDRZDCIQC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.15
Rot. Bonds5

About 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide

1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 110904280) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID110904280
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(CO)NC(=O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(11-18)16-15(19)14-8-5-9-17(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19)
InChIKeyOLEGCLDRZDCIQC-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693
(2R)-1-benzyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 97006888
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 86968889
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
CID 60615305
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 118773170
(E)-2-[(1-benzylpyrrolidine-2-carbonyl)amino]hex-4-enoic acid
CID 120694302
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide (CID 110904280) is 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide is CC(CO)NC(=O)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is OLEGCLDRZDCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(11-18)16-15(19)14-8-5-9-17(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,16,19).
What are the key properties of 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide?
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110904280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).