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

C20H24N2O2 — CID 68728242

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCC(C)C[C@@H](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)/t18-/m0/s1
InChIKeyOTJVVTJSOYJJQH-SFHVURJKSA-N
MW324.42 g/mol
LogP3.33
Rot. Bonds6

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

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide (PubChem CID 68728242) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
PubChem CID68728242
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
SMILESCC(C)C[C@@H](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)/t18-/m0/s1
InChIKeyOTJVVTJSOYJJQH-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide (CID 68728242) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide is CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide?
The InChIKey is OTJVVTJSOYJJQH-SFHVURJKSA-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)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide?
N-[(2S)-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-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 68728242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).