4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide

C15H22N2O4 — CID 76917538

IUPAC4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
SMILESCOc1cc(C(C)=NO)ccc1OCCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-11(16-19)12-7-8-13(14(10-12)20-4)21-9-5-6-15(18)17(2)3/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyVUDQQKWOQCKQKA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.14
Rot. Bonds7

About 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide

4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide (PubChem CID 76917538) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
PubChem CID76917538
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
SMILESCOc1cc(C(C)=NO)ccc1OCCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-11(16-19)12-7-8-13(14(10-12)20-4)21-9-5-6-15(18)17(2)3/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyVUDQQKWOQCKQKA-UHFFFAOYSA-N
XLogP2.14
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.14
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

3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355478
2-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119199926
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
3-[4-(4-acetyl-2-methoxyphenoxy)butanoyl-methylamino]-2-methylpropanoic acid
CID 119227817
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide (CID 76917538) is 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide is COc1cc(C(C)=NO)ccc1OCCCC(=O)N(C)C.
What is the InChIKey of 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide?
The InChIKey is VUDQQKWOQCKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(16-19)12-7-8-13(14(10-12)20-4)21-9-5-6-15(18)17(2)3/h7-8,10,19H,5-6,9H2,1-4H3.
What are the key properties of 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide?
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide has a molecular weight of 294.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 76917538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).