N-[(2S)-1-phenylbutan-2-yl]benzamide

C17H19NO — CID 778631

IUPACN-[(2S)-1-phenylbutan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyLPLZDTVVWXQUFZ-INIZCTEOSA-N
MW253.35 g/mol
LogP3.44
Rot. Bonds5

About N-[(2S)-1-phenylbutan-2-yl]benzamide

N-[(2S)-1-phenylbutan-2-yl]benzamide (PubChem CID 778631) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2S)-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylbutan-2-yl]benzamide
PubChem CID778631
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-[(2S)-1-phenylbutan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyLPLZDTVVWXQUFZ-INIZCTEOSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-(1-phenyl-3-sulfanylpropan-2-yl)benzamide
CID 23344907
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-phenylbutan-2-yl]benzamide (CID 778631) is N-[(2S)-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-phenylbutan-2-yl]benzamide is CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-phenylbutan-2-yl]benzamide?
The InChIKey is LPLZDTVVWXQUFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-phenylbutan-2-yl]benzamide?
N-[(2S)-1-phenylbutan-2-yl]benzamide has a molecular weight of 253.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).