(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide

C22H28N2O2 — CID 11348747

IUPAC(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide
SMILESO=C(NC1CCCCC1)C(/C=C/c1ccccc1)N1C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C22H28N2O2/c25-21(23-17-10-5-2-6-11-17)20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18(19)22(24)26/h1,3-4,8-9,14-15,17-20H,2,5-7,10-13H2,(H,23,25)/b15-14+/t18-,19+,20?/m1/s1
InChIKeyRMCJBYSOIVPRBB-ZCALJWLHSA-N
MW352.48 g/mol
LogP3.53
Rot. Bonds5

About (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide

(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide (PubChem CID 11348747) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide
PubChem CID11348747
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide
SMILESO=C(NC1CCCCC1)C(/C=C/c1ccccc1)N1C(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C22H28N2O2/c25-21(23-17-10-5-2-6-11-17)20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18(19)22(24)26/h1,3-4,8-9,14-15,17-20H,2,5-7,10-13H2,(H,23,25)/b15-14+/t18-,19+,20?/m1/s1
InChIKeyRMCJBYSOIVPRBB-ZCALJWLHSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
2-(3-chlorophenyl)-N-cyclohexyl-2-[(1R,6S)-8-oxo-7-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 11257349
(E)-N-cyclohexyl-2-(3,5-dichloro-N-(2-chloroacetyl)anilino)-4-phenylbut-3-enamide
CID 15365094
2-[2-(cycloheptylamino)-2-oxo-1-phenylethyl]benzamide
CID 68907898
(2S)-N-cyclohexyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 52894474
(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
CID 154707344
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
CID 174416456

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide (CID 11348747) is (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide is O=C(NC1CCCCC1)C(/C=C/c1ccccc1)N1C(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide?
The InChIKey is RMCJBYSOIVPRBB-ZCALJWLHSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21(23-17-10-5-2-6-11-17)20(15-14-16-8-3-1-4-9-16)24-19-13-7-12-18(19)22(24)26/h1,3-4,8-9,14-15,17-20H,2,5-7,10-13H2,(H,23,25)/b15-14+/t18-,19+,20?/m1/s1.
What are the key properties of (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide?
(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide has a molecular weight of 352.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide is sourced from PubChem (CID 11348747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).