(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide

C22H27NO4 — CID 86942712

IUPAC(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NC(C)Cc2cccc(OC)c2)ccc1OC
InChIInChI=1S/C22H27NO4/c1-5-27-21-15-17(9-11-20(21)26-4)10-12-22(24)23-16(2)13-18-7-6-8-19(14-18)25-3/h6-12,14-16H,5,13H2,1-4H3,(H,23,24)/b12-10+
InChIKeyMCDNZZQLUQWBEQ-ZRDIBKRKSA-N
MW369.46 g/mol
LogP3.86
Rot. Bonds9

About (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide

(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 86942712) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID86942712
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NC(C)Cc2cccc(OC)c2)ccc1OC
InChIInChI=1S/C22H27NO4/c1-5-27-21-15-17(9-11-20(21)26-4)10-12-22(24)23-16(2)13-18-7-6-8-19(14-18)25-3/h6-12,14-16H,5,13H2,1-4H3,(H,23,24)/b12-10+
InChIKeyMCDNZZQLUQWBEQ-ZRDIBKRKSA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.86
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

(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 30798112
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
(E)-N-[1-(3-methoxyphenyl)propan-2-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 86941732
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 26736528
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide (CID 86942712) is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide is CCOc1cc(/C=C/C(=O)NC(C)Cc2cccc(OC)c2)ccc1OC.
What is the InChIKey of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is MCDNZZQLUQWBEQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-27-21-15-17(9-11-20(21)26-4)10-12-22(24)23-16(2)13-18-7-6-8-19(14-18)25-3/h6-12,14-16H,5,13H2,1-4H3,(H,23,24)/b12-10+.
What are the key properties of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 369.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 86942712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).