N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide

C18H22N2O — CID 68724562

IUPACN-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
SMILESCC(C)[C@@H](CN)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)17(12-19)20-18(21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyILSCOWYGULEACY-QGZVFWFLSA-N
MW282.39 g/mol
LogP3.07
Rot. Bonds5

About N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide

N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide (PubChem CID 68724562) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
PubChem CID68724562
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
SMILESCC(C)[C@@H](CN)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(2)17(12-19)20-18(21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyILSCOWYGULEACY-QGZVFWFLSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyridin-4-ylbenzamide
CID 126834520
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
azulene-1-carbohydrazide
CID 45118106
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
CID 67365397
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67448084
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
CID 123327979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide?
The IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide (CID 68724562) is N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide is CC(C)[C@@H](CN)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide?
The InChIKey is ILSCOWYGULEACY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)17(12-19)20-18(21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,17H,12,19H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide?
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide is sourced from PubChem (CID 68724562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).