(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide

C18H20N2O2 — CID 82153763

IUPAC(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)N(C)c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O2/c1-3-22-17-11-9-14(13-16(17)19)10-12-18(21)20(2)15-7-5-4-6-8-15/h4-13H,3,19H2,1-2H3/b12-10-
InChIKeyLICCBYAGSWWSSD-BENRWUELSA-N
MW296.37 g/mol
LogP3.34
Rot. Bonds5

About (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide

(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide (PubChem CID 82153763) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
PubChem CID82153763
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)N(C)c2ccccc2)cc1N
InChIInChI=1S/C18H20N2O2/c1-3-22-17-11-9-14(13-16(17)19)10-12-18(21)20(2)15-7-5-4-6-8-15/h4-13H,3,19H2,1-2H3/b12-10-
InChIKeyLICCBYAGSWWSSD-BENRWUELSA-N
XLogP3.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(E)-N-(benzenesulfonyl)-3-(3,4-diethoxyphenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 19212409
(Z)-3-(3-amino-4-butoxyphenyl)prop-2-enoic acid
CID 82152619
ethyl (Z)-4-(N-methylanilino)-4-oxobut-2-enoate
CID 6152798
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
CID 39380514
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
CID 82153524

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide (CID 82153763) is (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide is CCOc1ccc(/C=C\C(=O)N(C)c2ccccc2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide?
The InChIKey is LICCBYAGSWWSSD-BENRWUELSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-17-11-9-14(13-16(17)19)10-12-18(21)20(2)15-7-5-4-6-8-15/h4-13H,3,19H2,1-2H3/b12-10-.
What are the key properties of (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide?
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 82153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).