N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide

C20H24N2O2 — CID 68728016

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
SMILESCC(C)CC(C(N)=O)N(C)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-18(19(21)23)22(3)20(24)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H2,21,23)
InChIKeyOTJVVTJSOYJJQH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.33
Rot. Bonds6

About N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide

N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide (PubChem CID 68728016) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
PubChem CID68728016
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
SMILESCC(C)CC(C(N)=O)N(C)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)13-18(19(21)23)22(3)20(24)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H2,21,23)
InChIKeyOTJVVTJSOYJJQH-UHFFFAOYSA-N
XLogP3.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68728242
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68726081
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
(2S)-4-methyl-2-[methyl(phenylcarbamothioyl)amino]pentanamide
CID 118906998
N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
CID 68727121
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
(2S)-2-[ethyl-(3-phenylthiophen-2-yl)amino]-4-methylpentanamide
CID 69222806
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
4-(dimethylamino)-2-(2-phenylphenyl)butanamide
CID 70546597
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
(2S)-2-[[(2R)-1-(N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]anilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 125473377

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide (CID 68728016) is N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide is CC(C)CC(C(N)=O)N(C)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide?
The InChIKey is OTJVVTJSOYJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)13-18(19(21)23)22(3)20(24)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H2,21,23).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide?
N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 68728016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).