4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H22N2O3 — CID 7930766

IUPAC4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c(C)c([C@@H](C)O)c1C
InChIInChI=1S/C17H22N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,12,19-20H,9H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyCUOCUHPQUBQRBV-GFCCVEGCSA-N
MW302.37 g/mol
LogP2.62
Rot. Bonds5

About 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 7930766) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID7930766
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c(C)c([C@@H](C)O)c1C
InChIInChI=1S/C17H22N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,12,19-20H,9H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyCUOCUHPQUBQRBV-GFCCVEGCSA-N
XLogP2.62
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7561030
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7561029
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110786198
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 7930766) is 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccccc1CNC(=O)c1[nH]c(C)c([C@@H](C)O)c1C.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is CUOCUHPQUBQRBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,12,19-20H,9H2,1-4H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 7930766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).