(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide

C18H20N2O2 — CID 82153069

IUPAC(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C18H20N2O2/c1-13-3-5-15(6-4-13)12-22-17-9-7-14(11-16(17)19)8-10-18(21)20-2/h3-11H,12,19H2,1-2H3,(H,20,21)/b10-8-
InChIKeyUWOKZQZFFSJXBT-NTMALXAHSA-N
MW296.37 g/mol
LogP2.92
Rot. Bonds5

About (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide

(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide (PubChem CID 82153069) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide
PubChem CID82153069
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C18H20N2O2/c1-13-3-5-15(6-4-13)12-22-17-9-7-14(11-16(17)19)8-10-18(21)20-2/h3-11H,12,19H2,1-2H3,(H,20,21)/b10-8-
InChIKeyUWOKZQZFFSJXBT-NTMALXAHSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
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

(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
methyl (E)-3-[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684654
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 165351564
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 82152628
(E)-3-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6272407
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
CID 94760146
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide (CID 82153069) is (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide is CNC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)c(N)c1.
What is the InChIKey of (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide?
The InChIKey is UWOKZQZFFSJXBT-NTMALXAHSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-3-5-15(6-4-13)12-22-17-9-7-14(11-16(17)19)8-10-18(21)20-2/h3-11H,12,19H2,1-2H3,(H,20,21)/b10-8-.
What are the key properties of (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide?
(Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-[(4-methylphenyl)methoxy]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 82153069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).