N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C20H30ClN3O — CID 119641511

IUPACN-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-5-20(21,6-2)14-22-19(24)18-12-15(3)23(16(18)4)13-17-10-8-7-9-11-17;/h7-12H,5-6,13-14,21H2,1-4H3,(H,22,24);1H
InChIKeyKNZKPCUYYVSBNT-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.82
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119641511) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID119641511
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.Cl
InChIInChI=1S/C20H29N3O.ClH/c1-5-20(21,6-2)14-22-19(24)18-12-15(3)23(16(18)4)13-17-10-8-7-9-11-17;/h7-12H,5-6,13-14,21H2,1-4H3,(H,22,24);1H
InChIKeyKNZKPCUYYVSBNT-UHFFFAOYSA-N
XLogP3.82
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride 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-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119607026
N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 75447829
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 119641511) is N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is KNZKPCUYYVSBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.ClH/c1-5-20(21,6-2)14-22-19(24)18-12-15(3)23(16(18)4)13-17-10-8-7-9-11-17;/h7-12H,5-6,13-14,21H2,1-4H3,(H,22,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).