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

C13H18N2O4 — CID 76976993

IUPAC2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
SMILESCCC(Oc1ccc(C(C)=NO)cc1OC)C(N)=O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(14)16)19-11-6-5-9(8(2)15-17)7-12(11)18-3/h5-7,10,17H,4H2,1-3H3,(H2,14,16)
InChIKeyYYJWEVVFVGIQPV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.54
Rot. Bonds6

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

2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide (PubChem CID 76976993) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
PubChem CID76976993
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide
SMILESCCC(Oc1ccc(C(C)=NO)cc1OC)C(N)=O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(14)16)19-11-6-5-9(8(2)15-17)7-12(11)18-3/h5-7,10,17H,4H2,1-3H3,(H2,14,16)
InChIKeyYYJWEVVFVGIQPV-UHFFFAOYSA-N
XLogP1.54
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180
(NE)-N-[1-[3-methoxy-4-(2-propan-2-yloxyethoxy)phenyl]ethylidene]hydroxylamine
CID 109374373
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 46307411
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
2-(4-carbamothioyl-2-methoxyphenoxy)pentanoic acid
CID 83041877
4-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]-N,N-dimethylbutanamide
CID 76917538
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide?
The IUPAC name of 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide (CID 76976993) is 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide.
What is the SMILES notation for 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide?
The canonical SMILES for 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide is CCC(Oc1ccc(C(C)=NO)cc1OC)C(N)=O.
What is the InChIKey of 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide?
The InChIKey is YYJWEVVFVGIQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-10(13(14)16)19-11-6-5-9(8(2)15-17)7-12(11)18-3/h5-7,10,17H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide?
2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide has a molecular weight of 266.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-hydroxy-C-methylcarbonimidoyl)-2-methoxyphenoxy]butanamide is sourced from PubChem (CID 76976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).