N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide

C19H23NO — CID 51940796

IUPACN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NO/c1-14-10-8-9-13-16(14)18(21)20-17(19(2,3)4)15-11-6-5-7-12-15/h5-13,17H,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyYBIHOFBDWKDSJP-QGZVFWFLSA-N
MW281.40 g/mol
LogP4.51
Rot. Bonds3

About N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide (PubChem CID 51940796) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
PubChem CID51940796
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NO/c1-14-10-8-9-13-16(14)18(21)20-17(19(2,3)4)15-11-6-5-7-12-15/h5-13,17H,1-4H3,(H,20,21)/t17-/m1/s1
InChIKeyYBIHOFBDWKDSJP-QGZVFWFLSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
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N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
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2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
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N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
1-[(2-methylbenzoyl)amino]ethylphosphanide
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N-(2-bromo-2-phenylethyl)-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide (CID 51940796) is N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide?
The InChIKey is YBIHOFBDWKDSJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-10-8-9-13-16(14)18(21)20-17(19(2,3)4)15-11-6-5-7-12-15/h5-13,17H,1-4H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide?
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide is sourced from PubChem (CID 51940796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).