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

C18H19NO4 — CID 875420

IUPAC(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-14-7-4-13(5-8-14)6-11-18(20)19-16-12-15(22-2)9-10-17(16)23-3/h4-12H,1-3H3,(H,19,20)/b11-6+
InChIKeyCYLFXFFNCBGRBM-IZZDOVSWSA-N
MW313.35 g/mol
LogP3.36
Rot. Bonds6

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

(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 875420) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID875420
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-14-7-4-13(5-8-14)6-11-18(20)19-16-12-15(22-2)9-10-17(16)23-3/h4-12H,1-3H3,(H,19,20)/b11-6+
InChIKeyCYLFXFFNCBGRBM-IZZDOVSWSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.36
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

N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 17416575
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
(E)-3-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 6025660
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42992018
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 875420) is (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is CYLFXFFNCBGRBM-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-14-7-4-13(5-8-14)6-11-18(20)19-16-12-15(22-2)9-10-17(16)23-3/h4-12H,1-3H3,(H,19,20)/b11-6+.
What are the key properties of (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 313.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 875420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).