N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide

C12H18N2O4 — CID 112501675

IUPACN-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CON)cc1OC
InChIInChI=1S/C12H18N2O4/c1-8(7-18-13)14-12(15)9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyFLVGXBXVZSYZKD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.71
Rot. Bonds6

About N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide

N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide (PubChem CID 112501675) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
PubChem CID112501675
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CON)cc1OC
InChIInChI=1S/C12H18N2O4/c1-8(7-18-13)14-12(15)9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyFLVGXBXVZSYZKD-UHFFFAOYSA-N
XLogP0.71
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-3,4-dimethoxybenzamide
CID 62093873
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 71847725
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-(1-bromo-3-methylbutan-2-yl)-3,4-dimethoxybenzamide
CID 113275998
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834

Frequently Asked Questions

What is the IUPAC name of N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide (CID 112501675) is N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC(C)CON)cc1OC.
What is the InChIKey of N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is FLVGXBXVZSYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(7-18-13)14-12(15)9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide?
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 112501675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).