4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H18N2O2 — CID 16789376

IUPAC4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CCCO2)ccc1N
InChIInChI=1S/C13H18N2O2/c1-9-7-10(4-5-12(9)14)13(16)15-8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyQXHKZANBCYYYOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds3

About 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide

4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 16789376) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID16789376
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CCCO2)ccc1N
InChIInChI=1S/C13H18N2O2/c1-9-7-10(4-5-12(9)14)13(16)15-8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyQXHKZANBCYYYOK-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
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

4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 16789376) is 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(C(=O)NCC2CCCO2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QXHKZANBCYYYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-10(4-5-12(9)14)13(16)15-8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide?
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 16789376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).