3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide

C15H22N2O — CID 104860210

IUPAC3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
SMILESCC1CC(Nc2cccc(C(=O)NC(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-10(2)16-15(18)12-5-4-6-13(9-12)17-14-7-11(3)8-14/h4-6,9-11,14,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyAHDZOFUYTZSRKQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.04
Rot. Bonds4

About 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide

3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide (PubChem CID 104860210) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
PubChem CID104860210
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
SMILESCC1CC(Nc2cccc(C(=O)NC(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-10(2)16-15(18)12-5-4-6-13(9-12)17-14-7-11(3)8-14/h4-6,9-11,14,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyAHDZOFUYTZSRKQ-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
CID 81466811
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-[(3-hydroperoxy-5-methylcyclohexyl)amino]benzoic acid
CID 166705821
3-[(2-ethylcyclopentyl)amino]-N-propan-2-ylbenzamide
CID 115928884
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide (CID 104860210) is 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide is CC1CC(Nc2cccc(C(=O)NC(C)C)c2)C1.
What is the InChIKey of 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is AHDZOFUYTZSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-15(18)12-5-4-6-13(9-12)17-14-7-11(3)8-14/h4-6,9-11,14,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide?
3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 104860210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).