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

C18H21NO — CID 2226546

IUPAC3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-3-17(13-15-9-5-4-6-10-15)19-18(20)16-11-7-8-14(2)12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyDPUHLSJUSLJJKJ-KRWDZBQOSA-N
MW267.37 g/mol
LogP3.75
Rot. Bonds5

About 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide

3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide (PubChem CID 2226546) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
PubChem CID2226546
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
SMILESCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1
InChIInChI=1S/C18H21NO/c1-3-17(13-15-9-5-4-6-10-15)19-18(20)16-11-7-8-14(2)12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyDPUHLSJUSLJJKJ-KRWDZBQOSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300382
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide (CID 2226546) is 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide is CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide?
The InChIKey is DPUHLSJUSLJJKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-17(13-15-9-5-4-6-10-15)19-18(20)16-11-7-8-14(2)12-16/h4-12,17H,3,13H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide?
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 2226546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).