(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide

C21H24N2O2 — CID 9228047

IUPAC(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-16-9-11-19(17(2)13-16)15-23(3)21(25)14-22-20(24)12-10-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,22,24)/b12-10+
InChIKeyOJWUDBBVTGKXPK-ZRDIBKRKSA-N
MW336.44 g/mol
LogP3.09
Rot. Bonds6

About (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9228047) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9228047
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-16-9-11-19(17(2)13-16)15-23(3)21(25)14-22-20(24)12-10-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,22,24)/b12-10+
InChIKeyOJWUDBBVTGKXPK-ZRDIBKRKSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-[methyl-[3-(2-methylphenoxy)propyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55955792
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7604075
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7604763
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7603617
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
(E)-N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9409762
(E)-4-[(2,4-dimethylphenyl)methyl-methylamino]but-2-enoic acid
CID 115237184

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 9228047) is (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide is Cc1ccc(CN(C)C(=O)CNC(=O)/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is OJWUDBBVTGKXPK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-9-11-19(17(2)13-16)15-23(3)21(25)14-22-20(24)12-10-18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,22,24)/b12-10+.
What are the key properties of (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9228047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).