4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide

C12H16N2O3 — CID 55218798

IUPAC4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
SMILESCNC(=O)c1ccc(N)c(OC2CCOC2)c1
InChIInChI=1S/C12H16N2O3/c1-14-12(15)8-2-3-10(13)11(6-8)17-9-4-5-16-7-9/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBMRNSTXLBXIPGZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.80
Rot. Bonds3

About 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide

4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide (PubChem CID 55218798) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
PubChem CID55218798
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
SMILESCNC(=O)c1ccc(N)c(OC2CCOC2)c1
InChIInChI=1S/C12H16N2O3/c1-14-12(15)8-2-3-10(13)11(6-8)17-9-4-5-16-7-9/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBMRNSTXLBXIPGZ-UHFFFAOYSA-N
XLogP0.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
N-methyl-4-nitro-3-(oxolan-3-yloxy)benzamide
CID 59360027
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204726
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628
methyl 2-amino-4-methoxy-5-(oxolan-3-yloxy)benzoate
CID 167227648
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
CID 166611371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide (CID 55218798) is 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide is CNC(=O)c1ccc(N)c(OC2CCOC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide?
The InChIKey is BMRNSTXLBXIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14-12(15)8-2-3-10(13)11(6-8)17-9-4-5-16-7-9/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide?
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide has a molecular weight of 236.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 55218798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).