(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

C21H25NO5 — CID 8840134

IUPAC(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCC
InChIInChI=1S/C21H25NO5/c1-5-26-19-10-8-16(14-20(19)27-6-2)22-21(23)12-7-15-13-17(24-3)9-11-18(15)25-4/h7-14H,5-6H2,1-4H3,(H,22,23)/b12-7+
InChIKeyDHOFFXPVUKPAGA-KPKJPENVSA-N
MW371.43 g/mol
LogP4.15
Rot. Bonds9

About (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 8840134) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID8840134
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCC
InChIInChI=1S/C21H25NO5/c1-5-26-19-10-8-16(14-20(19)27-6-2)22-21(23)12-7-15-13-17(24-3)9-11-18(15)25-4/h7-14H,5-6H2,1-4H3,(H,22,23)/b12-7+
InChIKeyDHOFFXPVUKPAGA-KPKJPENVSA-N
XLogP4.15
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 8840134) is (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCC.
What is the InChIKey of (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is DHOFFXPVUKPAGA-KPKJPENVSA-N. The full InChI is InChI=1S/C21H25NO5/c1-5-26-19-10-8-16(14-20(19)27-6-2)22-21(23)12-7-15-13-17(24-3)9-11-18(15)25-4/h7-14H,5-6H2,1-4H3,(H,22,23)/b12-7+.
What are the key properties of (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 371.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8840134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).