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

C22H28N2O2 — CID 11198972

IUPACN-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)20(21(25)23-17-7-3-2-4-8-17)24-19-10-6-5-9-18(19)22(24)26/h5-6,11-14,17-20H,2-4,7-10H2,1H3,(H,23,25)/t18-,19+,20?/m1/s1
InChIKeyYPPYCLLPQYIOPN-LFPSWIHMSA-N
MW352.48 g/mol
LogP3.66
Rot. Bonds4

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

N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide (PubChem CID 11198972) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
PubChem CID11198972
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)20(21(25)23-17-7-3-2-4-8-17)24-19-10-6-5-9-18(19)22(24)26/h5-6,11-14,17-20H,2-4,7-10H2,1H3,(H,23,25)/t18-,19+,20?/m1/s1
InChIKeyYPPYCLLPQYIOPN-LFPSWIHMSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.66
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-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 11222739
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949
2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 11257349
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 4586622
(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 94778934
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclopentyl-4-methylpentanamide
CID 51547706
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide (CID 11198972) is N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N2C(=O)[C@@H]3CC=CC[C@@H]32)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide?
The InChIKey is YPPYCLLPQYIOPN-LFPSWIHMSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)20(21(25)23-17-7-3-2-4-8-17)24-19-10-6-5-9-18(19)22(24)26/h5-6,11-14,17-20H,2-4,7-10H2,1H3,(H,23,25)/t18-,19+,20?/m1/s1.
What are the key properties of N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide?
N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylphenyl)-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]oct-3-en-7-yl]acetamide is sourced from PubChem (CID 11198972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).