4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide

C13H18N2O2 — CID 82740644

IUPAC4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H18N2O2/c1-9-7-10(14)3-4-12(9)13(16)15(2)11-5-6-17-8-11/h3-4,7,11H,5-6,8,14H2,1-2H3
InChIKeyWCDKBPXZSDCJPO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds2

About 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide

4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide (PubChem CID 82740644) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
PubChem CID82740644
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H18N2O2/c1-9-7-10(14)3-4-12(9)13(16)15(2)11-5-6-17-8-11/h3-4,7,11H,5-6,8,14H2,1-2H3
InChIKeyWCDKBPXZSDCJPO-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82749448
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide (CID 82740644) is 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide is Cc1cc(N)ccc1C(=O)N(C)C1CCOC1.
What is the InChIKey of 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide?
The InChIKey is WCDKBPXZSDCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-10(14)3-4-12(9)13(16)15(2)11-5-6-17-8-11/h3-4,7,11H,5-6,8,14H2,1-2H3.
What are the key properties of 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide?
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82740644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).