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

C17H20N2O2 — CID 9316048

IUPACN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)c1
InChIInChI=1S/C17H20N2O2/c1-11-6-7-12(2)16(8-11)21-10-17(20)19-18-15-9-13-4-3-5-14(13)15/h3-4,6-8,13-14H,5,9-10H2,1-2H3,(H,19,20)/b18-15-/t13-,14+/m1/s1
InChIKeyQYTSNTXESMKIDG-NWNZURPUSA-N
MW284.36 g/mol
LogP2.75
Rot. Bonds4

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

N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 9316048) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID9316048
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)c1
InChIInChI=1S/C17H20N2O2/c1-11-6-7-12(2)16(8-11)21-10-17(20)19-18-15-9-13-4-3-5-14(13)15/h3-4,6-8,13-14H,5,9-10H2,1-2H3,(H,19,20)/b18-15-/t13-,14+/m1/s1
InChIKeyQYTSNTXESMKIDG-NWNZURPUSA-N
XLogP2.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.75
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-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
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-chlorophenoxy)acetamide
CID 9315386
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242073
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3307043
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 51421239
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 3305379

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide (CID 9316048) is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)c1.
What is the InChIKey of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is QYTSNTXESMKIDG-NWNZURPUSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-7-12(2)16(8-11)21-10-17(20)19-18-15-9-13-4-3-5-14(13)15/h3-4,6-8,13-14H,5,9-10H2,1-2H3,(H,19,20)/b18-15-/t13-,14+/m1/s1.
What are the key properties of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide?
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 9316048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).