(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide

C18H26N2O4 — CID 31369474

IUPAC(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCCN(CC)C(=O)CN(C)C(=O)/C=C/c1cc(OC)ccc1OC
InChIInChI=1S/C18H26N2O4/c1-6-20(7-2)18(22)13-19(3)17(21)11-8-14-12-15(23-4)9-10-16(14)24-5/h8-12H,6-7,13H2,1-5H3/b11-8+
InChIKeyOFFAWYAVWVZEGF-DHZHZOJOSA-N
MW334.42 g/mol
LogP2.04
Rot. Bonds8

About (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide

(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 31369474) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
PubChem CID31369474
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCCN(CC)C(=O)CN(C)C(=O)/C=C/c1cc(OC)ccc1OC
InChIInChI=1S/C18H26N2O4/c1-6-20(7-2)18(22)13-19(3)17(21)11-8-14-12-15(23-4)9-10-16(14)24-5/h8-12H,6-7,13H2,1-5H3/b11-8+
InChIKeyOFFAWYAVWVZEGF-DHZHZOJOSA-N
XLogP2.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7958598
(E)-N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 2531167
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
CID 2533542
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 26656183
methyl (E)-3-[2-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 71604823
(E)-3-(2,5-dimethoxyphenyl)-N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 9094557
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 26678370
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 78816997
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide (CID 31369474) is (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide is CCN(CC)C(=O)CN(C)C(=O)/C=C/c1cc(OC)ccc1OC.
What is the InChIKey of (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is OFFAWYAVWVZEGF-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-6-20(7-2)18(22)13-19(3)17(21)11-8-14-12-15(23-4)9-10-16(14)24-5/h8-12H,6-7,13H2,1-5H3/b11-8+.
What are the key properties of (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(diethylamino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 31369474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).