3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

C21H24N2O4 — CID 32849699

IUPAC3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-5-27-18-11-9-15(13-19(18)26-4)10-12-20(24)22-17-8-6-7-16(14-17)21(25)23(2)3/h6-14H,5H2,1-4H3,(H,22,24)/b12-10+
InChIKeyPITREDQHHGYSGZ-ZRDIBKRKSA-N
MW368.43 g/mol
LogP3.45
Rot. Bonds7

About 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (PubChem CID 32849699) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
PubChem CID32849699
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-5-27-18-11-9-15(13-19(18)26-4)10-12-20(24)22-17-8-6-7-16(14-17)21(25)23(2)3/h6-14H,5H2,1-4H3,(H,22,24)/b12-10+
InChIKeyPITREDQHHGYSGZ-ZRDIBKRKSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
ethyl 3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 9228215
N,N-diethyl-3-[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzamide
CID 31287568
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
N,N-diethyl-3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 26712530
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
CID 2071597
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (CID 32849699) is 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1OC.
What is the InChIKey of 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PITREDQHHGYSGZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-27-18-11-9-15(13-19(18)26-4)10-12-20(24)22-17-8-6-7-16(14-17)21(25)23(2)3/h6-14H,5H2,1-4H3,(H,22,24)/b12-10+.
What are the key properties of 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 32849699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).