N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine

C17H17NO3 — CID 142605464

IUPACN-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(C(=CC=NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-15-7-3-13(4-8-15)17(11-12-18-19)14-5-9-16(21-2)10-6-14/h3-12,19H,1-2H3
InChIKeyVKXZFLGUHJFTGB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.60
Rot. Bonds5

About N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine

N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 142605464) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
PubChem CID142605464
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(C(=CC=NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-15-7-3-13(4-8-15)17(11-12-18-19)14-5-9-16(21-2)10-6-14/h3-12,19H,1-2H3
InChIKeyVKXZFLGUHJFTGB-UHFFFAOYSA-N
XLogP3.60
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NE)-N-[(Z)-3-(4-methoxyphenyl)but-2-enylidene]hydroxylamine
CID 155208974
(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 177390235
N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
CID 22828689
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
CID 58612806
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
CID 12714057
CID 12714057
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine (CID 142605464) is N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine is COc1ccc(C(=CC=NO)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is VKXZFLGUHJFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-7-3-13(4-8-15)17(11-12-18-19)14-5-9-16(21-2)10-6-14/h3-12,19H,1-2H3.
What are the key properties of N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 283.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 142605464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).