N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

C18H22N2O2 — CID 97244499

IUPACN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(C[C@H](NC(=O)c2cc[nH]c2C)C2CC2)c1
InChIInChI=1S/C18H22N2O2/c1-12-16(8-9-19-12)18(21)20-17(14-6-7-14)11-13-4-3-5-15(10-13)22-2/h3-5,8-10,14,17,19H,6-7,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyGBWOJYRWWUYRQX-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.08
Rot. Bonds6

About N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 97244499) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID97244499
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(C[C@H](NC(=O)c2cc[nH]c2C)C2CC2)c1
InChIInChI=1S/C18H22N2O2/c1-12-16(8-9-19-12)18(21)20-17(14-6-7-14)11-13-4-3-5-15(10-13)22-2/h3-5,8-10,14,17,19H,6-7,11H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyGBWOJYRWWUYRQX-KRWDZBQOSA-N
XLogP3.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
CID 171053918
N-[1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 86798387
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 99856040
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 97244499) is N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is COc1cccc(C[C@H](NC(=O)c2cc[nH]c2C)C2CC2)c1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is GBWOJYRWWUYRQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-16(8-9-19-12)18(21)20-17(14-6-7-14)11-13-4-3-5-15(10-13)22-2/h3-5,8-10,14,17,19H,6-7,11H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97244499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).