N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide

C16H23NO2 — CID 176581923

IUPACN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide
SMILESCCC(=O)[C@H](NC(=O)C1=C=C(C)C1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-14(18)15(12-7-5-4-6-8-12)17-16(19)13-9-11(2)10-13/h12,15H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyAGJAKRSXCCEOOH-OAHLLOKOSA-N
MW261.36 g/mol
LogP2.91
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide (PubChem CID 176581923) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide
PubChem CID176581923
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide
SMILESCCC(=O)[C@H](NC(=O)C1=C=C(C)C1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-14(18)15(12-7-5-4-6-8-12)17-16(19)13-9-11(2)10-13/h12,15H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyAGJAKRSXCCEOOH-OAHLLOKOSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide (CID 176581923) is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide is CCC(=O)[C@H](NC(=O)C1=C=C(C)C1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide?
The InChIKey is AGJAKRSXCCEOOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-14(18)15(12-7-5-4-6-8-12)17-16(19)13-9-11(2)10-13/h12,15H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide?
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-methylcyclobuta-1,2-diene-1-carboxamide is sourced from PubChem (CID 176581923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).