4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide

C13H23N3O — CID 115156513

IUPAC4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide
SMILESCC(CN)CC(=O)NCC(C)(C)c1ccc[nH]1
InChIInChI=1S/C13H23N3O/c1-10(8-14)7-12(17)16-9-13(2,3)11-5-4-6-15-11/h4-6,10,15H,7-9,14H2,1-3H3,(H,16,17)
InChIKeyBXQBRPQZSREXTK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide

4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide (PubChem CID 115156513) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide
PubChem CID115156513
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide
SMILESCC(CN)CC(=O)NCC(C)(C)c1ccc[nH]1
InChIInChI=1S/C13H23N3O/c1-10(8-14)7-12(17)16-9-13(2,3)11-5-4-6-15-11/h4-6,10,15H,7-9,14H2,1-3H3,(H,16,17)
InChIKeyBXQBRPQZSREXTK-UHFFFAOYSA-N
XLogP1.39
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide 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

2-amino-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115151835
2-hydroxy-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115140296
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]-2-morpholin-2-ylacetamide
CID 115178241
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide (CID 115156513) is 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide is CC(CN)CC(=O)NCC(C)(C)c1ccc[nH]1.
What is the InChIKey of 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide?
The InChIKey is BXQBRPQZSREXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(8-14)7-12(17)16-9-13(2,3)11-5-4-6-15-11/h4-6,10,15H,7-9,14H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide?
4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide is sourced from PubChem (CID 115156513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).