N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide

C24H32N2O2 — CID 11222739

IUPACN-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1
InChIInChI=1S/C24H32N2O2/c1-16(2)17-12-14-18(15-13-17)22(23(27)25-19-8-4-3-5-9-19)26-21-11-7-6-10-20(21)24(26)28/h6-7,12-16,19-22H,3-5,8-11H2,1-2H3,(H,25,27)/t20-,21+,22?/m1/s1
InChIKeyMJEVJJGBVUETAK-LKXRKSRJSA-N
MW380.53 g/mol
LogP4.48
Rot. Bonds5

About N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide

N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 11222739) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID11222739
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1
InChIInChI=1S/C24H32N2O2/c1-16(2)17-12-14-18(15-13-17)22(23(27)25-19-8-4-3-5-9-19)26-21-11-7-6-10-20(21)24(26)28/h6-7,12-16,19-22H,3-5,8-11H2,1-2H3,(H,25,27)/t20-,21+,22?/m1/s1
InChIKeyMJEVJJGBVUETAK-LKXRKSRJSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
CID 11198972
2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 11257349
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclopentyl-4-methylpentanamide
CID 51547706
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928545
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 11222739) is N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1.
What is the InChIKey of N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MJEVJJGBVUETAK-LKXRKSRJSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-16(2)17-12-14-18(15-13-17)22(23(27)25-19-8-4-3-5-9-19)26-21-11-7-6-10-20(21)24(26)28/h6-7,12-16,19-22H,3-5,8-11H2,1-2H3,(H,25,27)/t20-,21+,22?/m1/s1.
What are the key properties of N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 380.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 11222739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).