3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide

C19H23NO — CID 903724

IUPAC3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-14-9-12-18(13-15(14)2)19(21)20-16(3)10-11-17-7-5-4-6-8-17/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyDOXMLBSOVVXMJO-INIZCTEOSA-N
MW281.40 g/mol
LogP4.05
Rot. Bonds5

About 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide

3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 903724) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID903724
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-14-9-12-18(13-15(14)2)19(21)20-16(3)10-11-17-7-5-4-6-8-17/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyDOXMLBSOVVXMJO-INIZCTEOSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 903724) is 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide is Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is DOXMLBSOVVXMJO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-9-12-18(13-15(14)2)19(21)20-16(3)10-11-17-7-5-4-6-8-17/h4-9,12-13,16H,10-11H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 281.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 903724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).