3-methyl-4-(oxolan-3-ylmethylamino)benzamide

C13H18N2O2 — CID 43706987

IUPAC3-methyl-4-(oxolan-3-ylmethylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCOC1
InChIInChI=1S/C13H18N2O2/c1-9-6-11(13(14)16)2-3-12(9)15-7-10-4-5-17-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyCQIBUSBIJHJBHW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-4-(oxolan-3-ylmethylamino)benzamide

3-methyl-4-(oxolan-3-ylmethylamino)benzamide (PubChem CID 43706987) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-methyl-4-(oxolan-3-ylmethylamino)benzamide
PubChem CID43706987
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-4-(oxolan-3-ylmethylamino)benzamide
SMILESCc1cc(C(N)=O)ccc1NCC1CCOC1
InChIInChI=1S/C13H18N2O2/c1-9-6-11(13(14)16)2-3-12(9)15-7-10-4-5-17-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyCQIBUSBIJHJBHW-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-3-ylmethylamino)benzamide?
The IUPAC name of 3-methyl-4-(oxolan-3-ylmethylamino)benzamide (CID 43706987) is 3-methyl-4-(oxolan-3-ylmethylamino)benzamide.
What is the SMILES notation for 3-methyl-4-(oxolan-3-ylmethylamino)benzamide?
The canonical SMILES for 3-methyl-4-(oxolan-3-ylmethylamino)benzamide is Cc1cc(C(N)=O)ccc1NCC1CCOC1.
What is the InChIKey of 3-methyl-4-(oxolan-3-ylmethylamino)benzamide?
The InChIKey is CQIBUSBIJHJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-11(13(14)16)2-3-12(9)15-7-10-4-5-17-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H2,14,16).
What are the key properties of 3-methyl-4-(oxolan-3-ylmethylamino)benzamide?
3-methyl-4-(oxolan-3-ylmethylamino)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-3-ylmethylamino)benzamide is sourced from PubChem (CID 43706987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).