N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide

C21H26N2O3 — CID 126428928

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-3-23-11-5-8-18(23)14-22-21(25)17-7-4-6-15(12-17)16-9-10-19(24)20(13-16)26-2/h4,6-7,9-10,12-13,18,24H,3,5,8,11,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyVHKJQJVSSSJLGB-GOSISDBHSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds6

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide (PubChem CID 126428928) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
PubChem CID126428928
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-3-23-11-5-8-18(23)14-22-21(25)17-7-4-6-15(12-17)16-9-10-19(24)20(13-16)26-2/h4,6-7,9-10,12-13,18,24H,3,5,8,11,14H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyVHKJQJVSSSJLGB-GOSISDBHSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
acetic acid;4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 154909912
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide
CID 125155907
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-fluoro-2-hydroxy-6-methoxybenzamide
CID 13493798
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
CID 5120
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-hydroxy-3-iodo-2-methoxybenzamide
CID 14691952
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide (CID 126428928) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide is CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide?
The InChIKey is VHKJQJVSSSJLGB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-23-11-5-8-18(23)14-22-21(25)17-7-4-6-15(12-17)16-9-10-19(24)20(13-16)26-2/h4,6-7,9-10,12-13,18,24H,3,5,8,11,14H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide is sourced from PubChem (CID 126428928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).