2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

C15H22N2O3 — CID 111427687

IUPAC2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCCC2CO)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-6-4-12(5-7-14)8-9-16-15(19)17-10-2-3-13(17)11-18/h4-7,13,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyRGYTZWUOVJJXQN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds5

About 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 111427687) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID111427687
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCCC2CO)cc1
InChIInChI=1S/C15H22N2O3/c1-20-14-6-4-12(5-7-14)8-9-16-15(19)17-10-2-3-13(17)11-18/h4-7,13,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyRGYTZWUOVJJXQN-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 126428815
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
N-[2-(4-methoxyphenyl)ethyl]-3-(pyrrolidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 71801817
(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
CID 111427847
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
(3S)-N-[2-(4-methoxyphenyl)ethyl]-3-(morpholin-4-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 97105385

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (CID 111427687) is 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCCC2CO)cc1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is RGYTZWUOVJJXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-6-4-12(5-7-14)8-9-16-15(19)17-10-2-3-13(17)11-18/h4-7,13,18H,2-3,8-11H2,1H3,(H,16,19).
What are the key properties of 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).