N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

C15H22N2O3 — CID 64599250

IUPACN-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-11(18)13-3-5-14(6-4-13)16-15(19)17-8-7-12(9-17)10-20-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyOAIGZFDZUQVWRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.24
Rot. Bonds4

About N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 64599250) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID64599250
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-11(18)13-3-5-14(6-4-13)16-15(19)17-8-7-12(9-17)10-20-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyOAIGZFDZUQVWRV-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
CID 63627417
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 136563804
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 107840207

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 64599250) is N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide is COCC1CCN(C(=O)Nc2ccc(C(C)O)cc2)C1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is OAIGZFDZUQVWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)13-3-5-14(6-4-13)16-15(19)17-8-7-12(9-17)10-20-2/h3-6,11-12,18H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 64599250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).