(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide

C20H24N2O — CID 959463

IUPAC(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-4-22(5-2)18-12-13-19(16(3)15-18)21-20(23)14-11-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+
InChIKeyFWRNRAKQKFXDAF-SDNWHVSQSA-N
MW308.43 g/mol
LogP4.49
Rot. Bonds6

About (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide

(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide (PubChem CID 959463) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
PubChem CID959463
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-4-22(5-2)18-12-13-19(16(3)15-18)21-20(23)14-11-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+
InChIKeyFWRNRAKQKFXDAF-SDNWHVSQSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(diethylamino)-2-methylphenyl]prop-2-enamide
CID 22776794
3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide (CID 959463) is (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide is CCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide?
The InChIKey is FWRNRAKQKFXDAF-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-22(5-2)18-12-13-19(16(3)15-18)21-20(23)14-11-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,21,23)/b14-11+.
What are the key properties of (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide has a molecular weight of 308.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 959463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).