3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide

C13H18N2O3 — CID 82725612

IUPAC3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCOC2C)c1
InChIInChI=1S/C13H18N2O3/c1-8-12(3-4-18-8)15-13(16)9-5-10(14)7-11(6-9)17-2/h5-8,12H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXQLVGHYNBPVSPV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide

3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82725612) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82725612
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCOC2C)c1
InChIInChI=1S/C13H18N2O3/c1-8-12(3-4-18-8)15-13(16)9-5-10(14)7-11(6-9)17-2/h5-8,12H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXQLVGHYNBPVSPV-UHFFFAOYSA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.18
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

3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide (CID 82725612) is 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide is COc1cc(N)cc(C(=O)NC2CCOC2C)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is XQLVGHYNBPVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-12(3-4-18-8)15-13(16)9-5-10(14)7-11(6-9)17-2/h5-8,12H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide?
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82725612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).