2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 60582022

IUPAC2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2CO)c1
InChIInChI=1S/C13H18N2O3/c1-18-12-6-2-4-10(8-12)14-13(17)15-7-3-5-11(15)9-16/h2,4,6,8,11,16H,3,5,7,9H2,1H3,(H,14,17)
InChIKeyBLEKCSJQSYFXGN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.68
Rot. Bonds3

About 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 60582022) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID60582022
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2CO)c1
InChIInChI=1S/C13H18N2O3/c1-18-12-6-2-4-10(8-12)14-13(17)15-7-3-5-11(15)9-16/h2,4,6,8,11,16H,3,5,7,9H2,1H3,(H,14,17)
InChIKeyBLEKCSJQSYFXGN-UHFFFAOYSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 60582022) is 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC2CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BLEKCSJQSYFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-6-2-4-10(8-12)14-13(17)15-7-3-5-11(15)9-16/h2,4,6,8,11,16H,3,5,7,9H2,1H3,(H,14,17).
What are the key properties of 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).