N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine

C21H23NO5 — CID 46231378

IUPACN-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
SMILESCOc1ccc(/C=C/C(/C=C/c2ccc(OC)c(OC)c2)=NO)cc1OC
InChIInChI=1S/C21H23NO5/c1-24-18-11-7-15(13-20(18)26-3)5-9-17(22-23)10-6-16-8-12-19(25-2)21(14-16)27-4/h5-14,23H,1-4H3/b9-5+,10-6+
InChIKeyOCGXPSRUNAQHAJ-NXZHAISVSA-N
MW369.42 g/mol
LogP4.28
Rot. Bonds8

About N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine

N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine (PubChem CID 46231378) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
PubChem CID46231378
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
SMILESCOc1ccc(/C=C/C(/C=C/c2ccc(OC)c(OC)c2)=NO)cc1OC
InChIInChI=1S/C21H23NO5/c1-24-18-11-7-15(13-20(18)26-3)5-9-17(22-23)10-6-16-8-12-19(25-2)21(14-16)27-4/h5-14,23H,1-4H3/b9-5+,10-6+
InChIKeyOCGXPSRUNAQHAJ-NXZHAISVSA-N
XLogP4.28
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxopent-4-enal
CID 91312479
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(1Z,4E,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
CID 98046576
methyl 3-(3,4-dimethoxyphenyl)prop-2-enimidate
CID 86758496
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
7-(3,4-dimethoxyphenyl)hept-6-ene-2,5-dione
CID 68770825

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine?
The IUPAC name of N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine (CID 46231378) is N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine is COc1ccc(/C=C/C(/C=C/c2ccc(OC)c(OC)c2)=NO)cc1OC.
What is the InChIKey of N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine?
The InChIKey is OCGXPSRUNAQHAJ-NXZHAISVSA-N. The full InChI is InChI=1S/C21H23NO5/c1-24-18-11-7-15(13-20(18)26-3)5-9-17(22-23)10-6-16-8-12-19(25-2)21(14-16)27-4/h5-14,23H,1-4H3/b9-5+,10-6+.
What are the key properties of N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine?
N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine has a molecular weight of 369.42 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine is sourced from PubChem (CID 46231378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).