N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide

C18H24N2O3 — CID 5419588

IUPACN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1
InChIInChI=1S/C18H24N2O3/c1-12-5-6-13(2)16(7-12)23-11-17(22)20-19-14-8-15(21)10-18(3,4)9-14/h5-7H,8-11H2,1-4H3,(H,20,22)/b19-14-
InChIKeyZSNPBVKSGXDLIG-RGEXLXHISA-N
MW316.40 g/mol
LogP2.93
Rot. Bonds4

About N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide

N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 5419588) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID5419588
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1
InChIInChI=1S/C18H24N2O3/c1-12-5-6-13(2)16(7-12)23-11-17(22)20-19-14-8-15(21)10-18(3,4)9-14/h5-7H,8-11H2,1-4H3,(H,20,22)/b19-14-
InChIKeyZSNPBVKSGXDLIG-RGEXLXHISA-N
XLogP2.93
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 1011923
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
2-(4-bromo-3-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 6130309
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 922131
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316048
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N'-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-N-phenylbutanediamide
CID 5349687
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3307043
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide (CID 5419588) is N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1.
What is the InChIKey of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is ZSNPBVKSGXDLIG-RGEXLXHISA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-5-6-13(2)16(7-12)23-11-17(22)20-19-14-8-15(21)10-18(3,4)9-14/h5-7H,8-11H2,1-4H3,(H,20,22)/b19-14-.
What are the key properties of N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide?
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 5419588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).