N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

C20H24N2O2 — CID 2211217

IUPACN-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyDTESANLGYTUAMU-SFHVURJKSA-N
MW324.42 g/mol
LogP2.80
Rot. Bonds7

About N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide

N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (PubChem CID 2211217) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
PubChem CID2211217
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyDTESANLGYTUAMU-SFHVURJKSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide (CID 2211217) is N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
The InChIKey is DTESANLGYTUAMU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide?
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 2211217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).