(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine

C16H23NO4 — CID 82003088

IUPAC(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCCCC2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-12(17-18)15-8-7-14(19-2)11-16(15)21-10-4-6-13-5-3-9-20-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3/b17-12+
InChIKeyCKWGPJOLNGEBJE-SFQUDFHCSA-N
MW293.36 g/mol
LogP3.23
Rot. Bonds7

About (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 82003088) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
PubChem CID82003088
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCCCC2CCCO2)c1
InChIInChI=1S/C16H23NO4/c1-12(17-18)15-8-7-14(19-2)11-16(15)21-10-4-6-13-5-3-9-20-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3/b17-12+
InChIKeyCKWGPJOLNGEBJE-SFQUDFHCSA-N
XLogP3.23
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 82001183
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine (CID 82003088) is (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OCCCC2CCCO2)c1.
What is the InChIKey of (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is CKWGPJOLNGEBJE-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(17-18)15-8-7-14(19-2)11-16(15)21-10-4-6-13-5-3-9-20-13/h7-8,11,13,18H,3-6,9-10H2,1-2H3/b17-12+.
What are the key properties of (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 293.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82003088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).