(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide

C24H24N2O3 — CID 9207458

IUPAC(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N2O3/c1-3-29-22-14-7-5-10-19(22)15-16-24(28)26(2)17-23(27)25-21-13-8-11-18-9-4-6-12-20(18)21/h4-16H,3,17H2,1-2H3,(H,25,27)/b16-15+
InChIKeyJNIMXGOXUJOENW-FOCLMDBBSA-N
MW388.47 g/mol
LogP4.35
Rot. Bonds7

About (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 9207458) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
PubChem CID9207458
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N2O3/c1-3-29-22-14-7-5-10-19(22)15-16-24(28)26(2)17-23(27)25-21-13-8-11-18-9-4-6-12-20(18)21/h4-16H,3,17H2,1-2H3,(H,25,27)/b16-15+
InChIKeyJNIMXGOXUJOENW-FOCLMDBBSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9409894
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 4822554
3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 76857304
(E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-8-ylprop-2-enamide
CID 51333791
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 9208716
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide (CID 9207458) is (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is JNIMXGOXUJOENW-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-29-22-14-7-5-10-19(22)15-16-24(28)26(2)17-23(27)25-21-13-8-11-18-9-4-6-12-20(18)21/h4-16H,3,17H2,1-2H3,(H,25,27)/b16-15+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 9207458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).