N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide

C19H22N2O2 — CID 4534125

IUPACN-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22)
InChIKeyWJCLGSTVIZZJES-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide

N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide (PubChem CID 4534125) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
PubChem CID4534125
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22)
InChIKeyWJCLGSTVIZZJES-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-(dimethylamino)-1-[4-(dimethylamino)phenyl]-3-phenylpropan-1-one
CID 67723970
[(2S)-1-(4-acetamidophenyl)-1-oxo-3-phenylpropan-2-yl]-dimethylazanium
CID 2398171
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
2-(dimethylamino)-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 12727858
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
4-acetamido-N-[1-[cyano(methyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 87927250
4-(4-acetamidophenyl)-3-bromo-4-oxobutanoic acid
CID 79786902
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide (CID 4534125) is N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide?
The InChIKey is WJCLGSTVIZZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(22)20-17-11-9-16(10-12-17)19(23)18(21(2)3)13-15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide?
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 4534125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).