N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide

C17H25N3O — CID 23139887

IUPACN-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
SMILESCN(c1ccccc1)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-19(15-10-6-3-7-11-15)16-12-20(13-16)17(21)18-14-8-4-2-5-9-14/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,18,21)
InChIKeyCOZQZEMLTWUHJL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds3

About N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide

N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide (PubChem CID 23139887) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
PubChem CID23139887
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
SMILESCN(c1ccccc1)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H25N3O/c1-19(15-10-6-3-7-11-15)16-12-20(13-16)17(21)18-14-8-4-2-5-9-14/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,18,21)
InChIKeyCOZQZEMLTWUHJL-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide (CID 23139887) is N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide is CN(c1ccccc1)C1CN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide?
The InChIKey is COZQZEMLTWUHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(15-10-6-3-7-11-15)16-12-20(13-16)17(21)18-14-8-4-2-5-9-14/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide?
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide is sourced from PubChem (CID 23139887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).