(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide

C18H20N2O3 — CID 59789825

IUPAC(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-21-15-8-4-13(5-9-15)6-11-18(19)20-14-7-10-16(22-2)17(12-14)23-3/h4-12H,1-3H3,(H2,19,20)/b11-6+
InChIKeyKYRWEDQMSOVJMK-IZZDOVSWSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds6

About (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide

(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide (PubChem CID 59789825) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
PubChem CID59789825
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
SMILESCOc1ccc(/C=C/C(N)=N/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-21-15-8-4-13(5-9-15)6-11-18(19)20-14-7-10-16(22-2)17(12-14)23-3/h4-12H,1-3H3,(H2,19,20)/b11-6+
InChIKeyKYRWEDQMSOVJMK-IZZDOVSWSA-N
XLogP3.41
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789851
N'-(4-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)phenyl]prop-2-enimidamide
CID 72562744
4-[[3-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl]methylideneamino]benzoic acid
CID 164824283
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
CID 46231378
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
3,4-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 71462493

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The IUPAC name of (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide (CID 59789825) is (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide.
What is the SMILES notation for (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The canonical SMILES for (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide is COc1ccc(/C=C/C(N)=N/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
The InChIKey is KYRWEDQMSOVJMK-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-21-15-8-4-13(5-9-15)6-11-18(19)20-14-7-10-16(22-2)17(12-14)23-3/h4-12H,1-3H3,(H2,19,20)/b11-6+.
What are the key properties of (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide?
(E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide has a molecular weight of 312.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enimidamide is sourced from PubChem (CID 59789825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).