cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide

C25H36N2O3 — CID 176576174

IUPACcyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C19H24N2O3.C6H12/c1-12(2)17(22)9-20-18(23)15-5-3-4-14(8-15)16-10-21(11-16)19(24)13-6-7-13;1-2-4-6-5-3-1/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3,(H,20,23);1-6H2
InChIKeyOEKKFNDZRZXNEI-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.32
Rot. Bonds6

About cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide

cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 176576174) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Namecyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID176576174
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Namecyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C19H24N2O3.C6H12/c1-12(2)17(22)9-20-18(23)15-5-3-4-14(8-15)16-10-21(11-16)19(24)13-6-7-13;1-2-4-6-5-3-1/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3,(H,20,23);1-6H2
InChIKeyOEKKFNDZRZXNEI-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-chloroacetyl)piperidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide;cyclohexane
CID 176575975
3-[1-(2-chloroacetyl)piperidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
CID 176575976
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
CID 176577410
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 176579878
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176576998
3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide
CID 176579203
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813

Frequently Asked Questions

What is the IUPAC name of cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide (CID 176576174) is cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide is C1CCCCC1.CC(C)C(=O)CNC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1.
What is the InChIKey of cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is OEKKFNDZRZXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.C6H12/c1-12(2)17(22)9-20-18(23)15-5-3-4-14(8-15)16-10-21(11-16)19(24)13-6-7-13;1-2-4-6-5-3-1/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3,(H,20,23);1-6H2.
What are the key properties of cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide?
cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 412.57 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 176576174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).