N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide

C18H20N2O2 — CID 112996270

IUPACN-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCN(C(=O)CNC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(16-10-6-3-7-11-16)18(22)14-19-17(21)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,19,21)
InChIKeyBESXPFBJAGGNHN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide

N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 112996270) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID112996270
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCN(C(=O)CNC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-20(16-10-6-3-7-11-16)18(22)14-19-17(21)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,19,21)
InChIKeyBESXPFBJAGGNHN-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-[2-(N-methylanilino)-2-oxoethyl]-2,2-diphenylacetamide
CID 112996260
3-[methyl-[2-[3-[4-(phenylcarbamoylamino)phenyl]propanoylamino]acetyl]amino]propanoic acid
CID 22950869
2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
CID 109002833
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide (CID 112996270) is N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide is CN(C(=O)CNC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is BESXPFBJAGGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(16-10-6-3-7-11-16)18(22)14-19-17(21)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,19,21).
What are the key properties of N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide?
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 296.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 112996270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).