(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide

C20H22N2O3 — CID 134062957

IUPAC(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide
SMILESCNC(=O)Cc1ccc(NC(=O)/C=C/c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-10-18(25-3)16(12-14)7-11-19(23)22-17-8-5-15(6-9-17)13-20(24)21-2/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b11-7+
InChIKeyKAMJJALPOYWERC-YRNVUSSQSA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds6

About (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide

(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 134062957) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID134062957
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide
SMILESCNC(=O)Cc1ccc(NC(=O)/C=C/c2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-10-18(25-3)16(12-14)7-11-19(23)22-17-8-5-15(6-9-17)13-20(24)21-2/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b11-7+
InChIKeyKAMJJALPOYWERC-YRNVUSSQSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
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-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9192668
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
3-[4-[[(E)-3-[5-(hydroxymethyl)-2-methoxyphenyl]prop-2-enoyl]amino]phenyl]propanoic acid
CID 21037054
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 55620260
3-(5-bromo-2-methoxyphenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 3303410
(E)-3-(2-methoxy-5-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 46424056
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide (CID 134062957) is (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide is CNC(=O)Cc1ccc(NC(=O)/C=C/c2cc(C)ccc2OC)cc1.
What is the InChIKey of (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is KAMJJALPOYWERC-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-4-10-18(25-3)16(12-14)7-11-19(23)22-17-8-5-15(6-9-17)13-20(24)21-2/h4-12H,13H2,1-3H3,(H,21,24)(H,22,23)/b11-7+.
What are the key properties of (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide?
(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 134062957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).