N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide

C21H20N2O2 — CID 9316703

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-7-4-8-19(17)20)14-25-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-7,9-12,17,19H,8,13-14H2,(H,23,24)/b22-20-/t17-,19-/m1/s1
InChIKeyQRBMDPBWTDPBOU-QFWBMCHESA-N
MW332.40 g/mol
LogP3.80
Rot. Bonds5

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide (PubChem CID 9316703) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
PubChem CID9316703
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-7-4-8-19(17)20)14-25-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-7,9-12,17,19H,8,13-14H2,(H,23,24)/b22-20-/t17-,19-/m1/s1
InChIKeyQRBMDPBWTDPBOU-QFWBMCHESA-N
XLogP3.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242073
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
CID 9315386
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316048
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-tert-butylphenoxy)methyl]benzamide
CID 8518027
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide (CID 9316703) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)N/N=C1/C[C@H]2C=CC[C@@H]12.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is QRBMDPBWTDPBOU-QFWBMCHESA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-7-4-8-19(17)20)14-25-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-7,9-12,17,19H,8,13-14H2,(H,23,24)/b22-20-/t17-,19-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 9316703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).