(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride

C15H24ClN3O2 — CID 119785060

IUPAC(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)9-13(16)15(20)17-11(3)14(19)18-12-7-5-4-6-8-12;/h4-8,10-11,13H,9,16H2,1-3H3,(H,17,20)(H,18,19);1H/t11?,13-;/m0./s1
InChIKeyQOEMXKUZMUTDGW-IYWIJXFJSA-N
MW313.83 g/mol
LogP1.92
Rot. Bonds6

About (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride (PubChem CID 119785060) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
PubChem CID119785060
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)9-13(16)15(20)17-11(3)14(19)18-12-7-5-4-6-8-12;/h4-8,10-11,13H,9,16H2,1-3H3,(H,17,20)(H,18,19);1H/t11?,13-;/m0./s1
InChIKeyQOEMXKUZMUTDGW-IYWIJXFJSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(4-chlorophenyl)propanamide;dihydrochloride
CID 70254310
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119749201
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride (CID 119785060) is (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride?
The InChIKey is QOEMXKUZMUTDGW-IYWIJXFJSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-10(2)9-13(16)15(20)17-11(3)14(19)18-12-7-5-4-6-8-12;/h4-8,10-11,13H,9,16H2,1-3H3,(H,17,20)(H,18,19);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119785060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).