N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119419370

IUPACN-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1N.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-10(2)20-11(3)8-14(12(20)4)17(21)19-13-6-7-16(22-5)15(18)9-13;/h6-10H,18H2,1-5H3,(H,19,21);1H
InChIKeyNIRHWFBDBRMHBM-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.95
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119419370) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
PubChem CID119419370
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1N.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-10(2)20-11(3)8-14(12(20)4)17(21)19-13-6-7-16(22-5)15(18)9-13;/h6-10H,18H2,1-5H3,(H,19,21);1H
InChIKeyNIRHWFBDBRMHBM-UHFFFAOYSA-N
XLogP3.95
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112794545
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8873197
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride (CID 119419370) is N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is COc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is NIRHWFBDBRMHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-10(2)20-11(3)8-14(12(20)4)17(21)19-13-6-7-16(22-5)15(18)9-13;/h6-10H,18H2,1-5H3,(H,19,21);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119419370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).