N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide

C16H17N3O2 — CID 9156049

IUPACN'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C16H17N3O2/c1-10-5-7-12(8-6-10)17-15(20)16(21)19-18-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,20)(H,19,21)/b18-14-/t11-,13+/m0/s1
InChIKeyDNGLKFHBDPXDJQ-MVSRDAAHSA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds2

About N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide

N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide (PubChem CID 9156049) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
PubChem CID9156049
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1
InChIInChI=1S/C16H17N3O2/c1-10-5-7-12(8-6-10)17-15(20)16(21)19-18-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,20)(H,19,21)/b18-14-/t11-,13+/m0/s1
InChIKeyDNGLKFHBDPXDJQ-MVSRDAAHSA-N
XLogP2.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2,5-dimethylfuran-3-carboxamide
CID 8518841
(3S)-N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 11941075
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-5-chloro-2-methoxybenzamide
CID 40571457
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-methoxybenzamide
CID 7115296
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]furan-2-carboxamide
CID 6001760
N'-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 9179917
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide (CID 9156049) is N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1.
What is the InChIKey of N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide?
The InChIKey is DNGLKFHBDPXDJQ-MVSRDAAHSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-5-7-12(8-6-10)17-15(20)16(21)19-18-14-9-11-3-2-4-13(11)14/h2-3,5-8,11,13H,4,9H2,1H3,(H,17,20)(H,19,21)/b18-14-/t11-,13+/m0/s1.
What are the key properties of N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9156049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).