4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride

C16H26ClN3O2 — CID 119739022

IUPAC4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)(N)CCC)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-13-8-6-12(7-9-13)14(20)18-11-5-2;/h6-9H,4-5,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeySEWYHKWJUZXUBL-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.70
Rot. Bonds7

About 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride

4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride (PubChem CID 119739022) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
PubChem CID119739022
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)(N)CCC)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-13-8-6-12(7-9-13)14(20)18-11-5-2;/h6-9H,4-5,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeySEWYHKWJUZXUBL-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
4-[(2-amino-2-methylpentanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865137
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride (CID 119739022) is 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)C(C)(N)CCC)cc1.Cl.
What is the InChIKey of 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride?
The InChIKey is SEWYHKWJUZXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-4-10-16(3,17)15(21)19-13-8-6-12(7-9-13)14(20)18-11-5-2;/h6-9H,4-5,10-11,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride?
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119739022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).