4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide

C19H23N3O2 — CID 119756457

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyCTIAVJMWELILNX-KRWDZBQOSA-N
MW325.41 g/mol
LogP3.25
Rot. Bonds6

About 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide (PubChem CID 119756457) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
PubChem CID119756457
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyCTIAVJMWELILNX-KRWDZBQOSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119749201
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
ethyl 2-[[4-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoyl]amino]propanoate
CID 119806799
(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
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-phenylbenzamide?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide (CID 119756457) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide is CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide?
The InChIKey is CTIAVJMWELILNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)12-17(20)19(24)22-16-10-8-14(9-11-16)18(23)21-15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.25, 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-phenylbenzamide is sourced from PubChem (CID 119756457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).