(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol

C22H26N2O3 — CID 177461961

IUPAC(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol
SMILESCOc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2C/C=C/CO)cc1
InChIInChI=1S/C22H26N2O3/c1-16(18-8-10-20(26-3)11-9-18)23-24-17(2)22-13-12-21(27-4)15-19(22)7-5-6-14-25/h5-6,8-13,15,25H,7,14H2,1-4H3/b6-5+,23-16+,24-17+
InChIKeyUOZIZVLOTZDKEP-DHPSNZHNSA-N
MW366.46 g/mol
LogP4.03
Rot. Bonds8

About (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol

(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol (PubChem CID 177461961) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol
PubChem CID177461961
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol
SMILESCOc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2C/C=C/CO)cc1
InChIInChI=1S/C22H26N2O3/c1-16(18-8-10-20(26-3)11-9-18)23-24-17(2)22-13-12-21(27-4)15-19(22)7-5-6-14-25/h5-6,8-13,15,25H,7,14H2,1-4H3/b6-5+,23-16+,24-17+
InChIKeyUOZIZVLOTZDKEP-DHPSNZHNSA-N
XLogP4.03
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
CID 135008625
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
(E)-1-(4-methoxyphenyl)-N-(trimethylsilylmethyl)ethanimine
CID 134988572
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol?
The IUPAC name of (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol (CID 177461961) is (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol.
What is the SMILES notation for (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol?
The canonical SMILES for (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol is COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2C/C=C/CO)cc1.
What is the InChIKey of (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol?
The InChIKey is UOZIZVLOTZDKEP-DHPSNZHNSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(18-8-10-20(26-3)11-9-18)23-24-17(2)22-13-12-21(27-4)15-19(22)7-5-6-14-25/h5-6,8-13,15,25H,7,14H2,1-4H3/b6-5+,23-16+,24-17+.
What are the key properties of (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol?
(E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol has a molecular weight of 366.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-methoxy-2-[(E)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenyl]but-2-en-1-ol is sourced from PubChem (CID 177461961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).