3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide

C15H20N2O2 — CID 2738681

IUPAC3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCCNC2=O)cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-7-12(9-11(10)2)14(18)17-13-5-3-4-8-16-15(13)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLQUGZYRELKTYGP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds2

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

3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 2738681) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide
PubChem CID2738681
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCCNC2=O)cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-7-12(9-11(10)2)14(18)17-13-5-3-4-8-16-15(13)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLQUGZYRELKTYGP-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide (CID 2738681) is 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide is Cc1ccc(C(=O)NC2CCCCNC2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is LQUGZYRELKTYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-6-7-12(9-11(10)2)14(18)17-13-5-3-4-8-16-15(13)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide?
3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 2738681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).