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

C15H24ClN3O2 — CID 119714147

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-17-14(19)11-5-7-12(8-6-11)18-15(20)13(16)9-10(2)3;/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1
InChIKeyQFUJPDHFBKTYPK-ZOWNYOTGSA-N
MW313.83 g/mol
LogP2.17
Rot. Bonds6

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

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride (PubChem CID 119714147) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
PubChem CID119714147
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-17-14(19)11-5-7-12(8-6-11)18-15(20)13(16)9-10(2)3;/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1
InChIKeyQFUJPDHFBKTYPK-ZOWNYOTGSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119749201
ethyl 2-[[4-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoyl]amino]propanoate
CID 119806799
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 43701031
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride (CID 119714147) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1.Cl.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride?
The InChIKey is QFUJPDHFBKTYPK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-17-14(19)11-5-7-12(8-6-11)18-15(20)13(16)9-10(2)3;/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t13-;/m0./s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 119714147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).