3-(cycloheptylamino)-N-propan-2-ylbenzamide

C17H26N2O — CID 43693920

IUPAC3-(cycloheptylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-13(2)18-17(20)14-8-7-11-16(12-14)19-15-9-5-3-4-6-10-15/h7-8,11-13,15,19H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyGLJCQYRWZBVTQL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.96
Rot. Bonds4

About 3-(cycloheptylamino)-N-propan-2-ylbenzamide

3-(cycloheptylamino)-N-propan-2-ylbenzamide (PubChem CID 43693920) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-propan-2-ylbenzamide
PubChem CID43693920
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(cycloheptylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-13(2)18-17(20)14-8-7-11-16(12-14)19-15-9-5-3-4-6-10-15/h7-8,11-13,15,19H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyGLJCQYRWZBVTQL-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
CID 104860210
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
CID 81466811
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-[(2-ethylcyclopentyl)amino]-N-propan-2-ylbenzamide
CID 115928884
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(cycloheptylamino)-N-propan-2-ylbenzamide (CID 43693920) is 3-(cycloheptylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(cycloheptylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC2CCCCCC2)c1.
What is the InChIKey of 3-(cycloheptylamino)-N-propan-2-ylbenzamide?
The InChIKey is GLJCQYRWZBVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)18-17(20)14-8-7-11-16(12-14)19-15-9-5-3-4-6-10-15/h7-8,11-13,15,19H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(cycloheptylamino)-N-propan-2-ylbenzamide?
3-(cycloheptylamino)-N-propan-2-ylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43693920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).