3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride

C14H22ClN3O2 — CID 119711744

IUPAC3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(C(N)=O)ccc1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-7-14(3,16)13(19)17-11-8-10(12(15)18)6-5-9(11)2;/h5-6,8H,4,7,16H2,1-3H3,(H2,15,18)(H,17,19);1H
InChIKeyFXXOZLYBDGUVKA-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.97
Rot. Bonds5

About 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride

3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride (PubChem CID 119711744) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
PubChem CID119711744
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cc(C(N)=O)ccc1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-4-7-14(3,16)13(19)17-11-8-10(12(15)18)6-5-9(11)2;/h5-6,8H,4,7,16H2,1-3H3,(H2,15,18)(H,17,19);1H
InChIKeyFXXOZLYBDGUVKA-UHFFFAOYSA-N
XLogP1.97
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride (CID 119711744) is 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cc(C(N)=O)ccc1C.Cl.
What is the InChIKey of 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride?
The InChIKey is FXXOZLYBDGUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-4-7-14(3,16)13(19)17-11-8-10(12(15)18)6-5-9(11)2;/h5-6,8H,4,7,16H2,1-3H3,(H2,15,18)(H,17,19);1H.
What are the key properties of 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride?
3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119711744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).