N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide

C19H21NO2 — CID 22461794

IUPACN,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)19(22)13-10-15-8-11-17(12-9-15)18(21)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyBZUNKWHCGBVPNM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.13
Rot. Bonds6

About N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide

N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide (PubChem CID 22461794) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
PubChem CID22461794
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)19(22)13-10-15-8-11-17(12-9-15)18(21)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3
InChIKeyBZUNKWHCGBVPNM-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
4-phenacylbenzoyl iodide
CID 142013538
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,2-diphenylethanone;diphenylmethanone
CID 141067729
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide (CID 22461794) is N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide is CN(C)C(=O)CCc1ccc(C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide?
The InChIKey is BZUNKWHCGBVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(2)19(22)13-10-15-8-11-17(12-9-15)18(21)14-16-6-4-3-5-7-16/h3-9,11-12H,10,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide?
N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide has a molecular weight of 295.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide is sourced from PubChem (CID 22461794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).