N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide

C19H23NO — CID 41097241

IUPACN-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)18(21)20-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyIEJGYQFFMYHAPH-KRWDZBQOSA-N
MW281.40 g/mol
LogP4.13
Rot. Bonds4

About N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide

N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide (PubChem CID 41097241) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
PubChem CID41097241
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)18(21)20-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyIEJGYQFFMYHAPH-KRWDZBQOSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
1,2-diphenylethylurea
CID 2853470
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide (CID 41097241) is N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide?
The InChIKey is IEJGYQFFMYHAPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)18(21)20-17(16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide?
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 41097241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).