(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine

C18H20N2O4 — CID 155813789

IUPAC(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1cc(/C=C/C(=N/O)c2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-22-16-10-12(11-17(23-2)18(16)24-3)4-9-15(20-21)13-5-7-14(19)8-6-13/h4-11,21H,19H2,1-3H3/b9-4+,20-15-
InChIKeyNWWGGYVQKUAQQW-DGINWBCJSA-N
MW328.37 g/mol
LogP3.19
Rot. Bonds6

About (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 155813789) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
PubChem CID155813789
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1cc(/C=C/C(=N/O)c2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-22-16-10-12(11-17(23-2)18(16)24-3)4-9-15(20-21)13-5-7-14(19)8-6-13/h4-11,21H,19H2,1-3H3/b9-4+,20-15-
InChIKeyNWWGGYVQKUAQQW-DGINWBCJSA-N
XLogP3.19
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(Z)-1-(4-aminophenyl)-3-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495020
1-(4-aminophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminopropan-1-one
CID 123766955
5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
CID 10791233
1-(4-aminophenyl)-3-[3-fluoro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminopropan-1-one
CID 123825632
(E)-1-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7515639
(E)-1-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10712323
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde
CID 87552843
(E)-1-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 12701089
(E)-3-(4-aminophenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360146

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine (CID 155813789) is (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine is COc1cc(/C=C/C(=N/O)c2ccc(N)cc2)cc(OC)c1OC.
What is the InChIKey of (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is NWWGGYVQKUAQQW-DGINWBCJSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-16-10-12(11-17(23-2)18(16)24-3)4-9-15(20-21)13-5-7-14(19)8-6-13/h4-11,21H,19H2,1-3H3/b9-4+,20-15-.
What are the key properties of (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 328.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 155813789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).