4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C19H24N2O3 — CID 3510893

IUPAC4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C19H24N2O3/c1-4-13(5-2)18(22)15-10-16(20-12-15)19(23)21-11-14-8-6-7-9-17(14)24-3/h6-10,12-13,20H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyAFECEPKAEGXMAS-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.57
Rot. Bonds8

About 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 3510893) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID3510893
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C19H24N2O3/c1-4-13(5-2)18(22)15-10-16(20-12-15)19(23)21-11-14-8-6-7-9-17(14)24-3/h6-10,12-13,20H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyAFECEPKAEGXMAS-UHFFFAOYSA-N
XLogP3.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3790675
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
CID 11760451
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
N-[(4-cyanophenyl)methyl]-4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 171483221
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 3510893) is 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AFECEPKAEGXMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-13(5-2)18(22)15-10-16(20-12-15)19(23)21-11-14-8-6-7-9-17(14)24-3/h6-10,12-13,20H,4-5,11H2,1-3H3,(H,21,23).
What are the key properties of 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3510893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).