(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine

C14H21NO4 — CID 109374373

IUPAC(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OCCOC(C)C
InChIInChI=1S/C14H21NO4/c1-10(2)18-7-8-19-13-6-5-12(11(3)15-16)9-14(13)17-4/h5-6,9-10,16H,7-8H2,1-4H3/b15-11+
InChIKeyIZBLRTJEKANKEP-RVDMUPIBSA-N
MW267.32 g/mol
LogP2.70
Rot. Bonds7

About (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 109374373) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID109374373
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
SMILESCOc1cc(/C(C)=N/O)ccc1OCCOC(C)C
InChIInChI=1S/C14H21NO4/c1-10(2)18-7-8-19-13-6-5-12(11(3)15-16)9-14(13)17-4/h5-6,9-10,16H,7-8H2,1-4H3/b15-11+
InChIKeyIZBLRTJEKANKEP-RVDMUPIBSA-N
XLogP2.70
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.70
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

2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
CID 76917538
2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
CID 76976993
2-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 54958174
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
CID 82077815
3-[4-methoxy-3-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 76890239
2-propan-2-yloxyethyl 3-amino-4-methoxybenzoate
CID 61308324
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine (CID 109374373) is (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine is COc1cc(/C(C)=N/O)ccc1OCCOC(C)C.
What is the InChIKey of (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is IZBLRTJEKANKEP-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)18-7-8-19-13-6-5-12(11(3)15-16)9-14(13)17-4/h5-6,9-10,16H,7-8H2,1-4H3/b15-11+.
What are the key properties of (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 267.32 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 109374373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).