2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride

C15H24ClN3O2 — CID 119735835

IUPAC2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(NC(=O)CC)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10-15(3,16)14(20)18-12-8-6-11(7-9-12)17-13(19)5-2;/h6-9H,4-5,10,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyZIYVZTORWVTJKQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.91
Rot. Bonds6

About 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride (PubChem CID 119735835) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
PubChem CID119735835
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(NC(=O)CC)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10-15(3,16)14(20)18-12-8-6-11(7-9-12)17-13(19)5-2;/h6-9H,4-5,10,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyZIYVZTORWVTJKQ-UHFFFAOYSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
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2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
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CID 54928789
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CID 119739022
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride (CID 119735835) is 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(NC(=O)CC)cc1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride?
The InChIKey is ZIYVZTORWVTJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-10-15(3,16)14(20)18-12-8-6-11(7-9-12)17-13(19)5-2;/h6-9H,4-5,10,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119735835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).