N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide

C23H28N2O2 — CID 109056461

IUPACN-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H28N2O2/c1-4-20-12-5-6-14-25(20)23(27)19-11-8-10-18(15-19)22(26)24-21-13-7-9-16(2)17(21)3/h7-11,13,15,20H,4-6,12,14H2,1-3H3,(H,24,26)
InChIKeyXYAASXDWOLBEBM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.96
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide

N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide (PubChem CID 109056461) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
PubChem CID109056461
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C23H28N2O2/c1-4-20-12-5-6-14-25(20)23(27)19-11-8-10-18(15-19)22(26)24-21-13-7-9-16(2)17(21)3/h7-11,13,15,20H,4-6,12,14H2,1-3H3,(H,24,26)
InChIKeyXYAASXDWOLBEBM-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107428
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
N-(2-ethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056478
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056485
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694492
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide (CID 109056461) is N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide is CCC1CCCCN1C(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
The InChIKey is XYAASXDWOLBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-20-12-5-6-14-25(20)23(27)19-11-8-10-18(15-19)22(26)24-21-13-7-9-16(2)17(21)3/h7-11,13,15,20H,4-6,12,14H2,1-3H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide?
N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109056461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).