4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H18N2O2 — CID 82726426

IUPAC4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H18N2O2/c1-8-7-10(14)3-4-11(8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyLBGWQHHZDNXGAP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.48
Rot. Bonds2

About 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide

4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82726426) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82726426
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H18N2O2/c1-8-7-10(14)3-4-11(8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyLBGWQHHZDNXGAP-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
CID 120648019
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
3-methyl-4-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82729228
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82736650
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82726426) is 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1cc(N)ccc1C(=O)NC1CCOC1C.
What is the InChIKey of 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is LBGWQHHZDNXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-7-10(14)3-4-11(8)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82726426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).