3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 62372910

IUPAC3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-11(3-5-12)14-13(17)15-7-6-10(8-15)9-16/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyOCDMOADMDVGOFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds3

About 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 62372910) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID62372910
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CO)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-18-12-4-2-11(3-5-12)14-13(17)15-7-6-10(8-15)9-16/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyOCDMOADMDVGOFV-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 62372910) is 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(CO)C2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is OCDMOADMDVGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-4-2-11(3-5-12)14-13(17)15-7-6-10(8-15)9-16/h2-5,10,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 62372910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).