(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

C19H21NO5 — CID 110501086

IUPAC(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-22-13-25-15-7-4-14(5-8-15)6-11-19(21)20-17-12-16(23-2)9-10-18(17)24-3/h4-12H,13H2,1-3H3,(H,20,21)/b11-6+
InChIKeyRWVASKCCWDPOMN-IZZDOVSWSA-N
MW343.38 g/mol
LogP3.34
Rot. Bonds8

About (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (PubChem CID 110501086) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
PubChem CID110501086
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-22-13-25-15-7-4-14(5-8-15)6-11-19(21)20-17-12-16(23-2)9-10-18(17)24-3/h4-12H,13H2,1-3H3,(H,20,21)/b11-6+
InChIKeyRWVASKCCWDPOMN-IZZDOVSWSA-N
XLogP3.34
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501090
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
(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501087
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
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26734981
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 4132324
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (CID 110501086) is (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is COCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The InChIKey is RWVASKCCWDPOMN-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-13-25-15-7-4-14(5-8-15)6-11-19(21)20-17-12-16(23-2)9-10-18(17)24-3/h4-12H,13H2,1-3H3,(H,20,21)/b11-6+.
What are the key properties of (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 110501086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).