N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide

C16H24N2O3 — CID 79672225

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H24N2O3/c1-4-18-9-5-6-13(18)11-17(2)16(20)12-7-8-15(21-3)14(19)10-12/h7-8,10,13,19H,4-6,9,11H2,1-3H3
InChIKeyFMZQXVCPESFGRC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 79672225) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID79672225
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C16H24N2O3/c1-4-18-9-5-6-13(18)11-17(2)16(20)12-7-8-15(21-3)14(19)10-12/h7-8,10,13,19H,4-6,9,11H2,1-3H3
InChIKeyFMZQXVCPESFGRC-UHFFFAOYSA-N
XLogP1.96
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
1-(3-bromo-2,6-dimethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethenamine
CID 89080580
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N,4-dimethylthiophene-2-carboxamide
CID 70365041
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluoro-2,6-dimethoxyphenyl)-N-methylethenamine
CID 89080621

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide (CID 79672225) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide is CCN1CCCC1CN(C)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is FMZQXVCPESFGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-9-5-6-13(18)11-17(2)16(20)12-7-8-15(21-3)14(19)10-12/h7-8,10,13,19H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 79672225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).