methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate

C18H24N2O3 — CID 118132037

IUPACmethyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate
SMILESCOC(=O)C/N=C1/C=C(Nc2ccc(OC)cc2)CC(C)(C)C1
InChIInChI=1S/C18H24N2O3/c1-18(2)10-14(19-12-17(21)23-4)9-15(11-18)20-13-5-7-16(22-3)8-6-13/h5-9,20H,10-12H2,1-4H3/b19-14-
InChIKeyYZFCODXRBHVNAE-RGEXLXHISA-N
MW316.40 g/mol
LogP3.42
Rot. Bonds5

About methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate

methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate (PubChem CID 118132037) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate
PubChem CID118132037
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate
SMILESCOC(=O)C/N=C1/C=C(Nc2ccc(OC)cc2)CC(C)(C)C1
InChIInChI=1S/C18H24N2O3/c1-18(2)10-14(19-12-17(21)23-4)9-15(11-18)20-13-5-7-16(22-3)8-6-13/h5-9,20H,10-12H2,1-4H3/b19-14-
InChIKeyYZFCODXRBHVNAE-RGEXLXHISA-N
XLogP3.42
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[5,5-dimethyl-3-[4-(trifluoromethoxy)anilino]cyclohex-2-en-1-ylidene]amino]acetate
CID 166462730
2-[[3-(4-methoxyanilino)cyclohex-2-en-1-ylidene]amino]acetic acid
CID 72695072
4-methoxy-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzamide
CID 9359349
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736
tetrasodium;ethanol;ethyl 2-[[3-(4-methoxyanilino)cyclohex-2-en-1-ylidene]amino]acetate;bis(2-[[3-(4-methoxyanilino)cyclohex-2-en-1-ylidene]amino]acetate);2-[[3-(4-methoxyanilino)cyclohex-2-en-1-ylidene]amino]acetic acid;chloride;hydroxide;hydrochloride
CID 157374155
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-(4-methoxyphenyl)acetohydrazide
CID 3859114
methyl 2-[[4-(2-methoxy-2-oxoethyl)iminocyclohexa-2,5-dien-1-ylidene]amino]acetate
CID 101059207
ethyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohexen-1-yl]amino]acetate
CID 166462721
3-(4-anilinoanilino)-5,5-dimethylcyclohex-2-en-1-one
CID 895503
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135488472
1-[[2-methoxy-3-(4-methoxyanilino)cyclohex-2-en-1-ylidene]amino]propan-2-one
CID 118122860

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate?
The IUPAC name of methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate (CID 118132037) is methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate?
The canonical SMILES for methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate is COC(=O)C/N=C1/C=C(Nc2ccc(OC)cc2)CC(C)(C)C1.
What is the InChIKey of methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate?
The InChIKey is YZFCODXRBHVNAE-RGEXLXHISA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2)10-14(19-12-17(21)23-4)9-15(11-18)20-13-5-7-16(22-3)8-6-13/h5-9,20H,10-12H2,1-4H3/b19-14-.
What are the key properties of methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate?
methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate has a molecular weight of 316.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-ylidene]amino]acetate is sourced from PubChem (CID 118132037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).