2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

C18H28N4O — CID 119142479

IUPAC2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(C)cc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C18H28N4O/c1-13-9-14(2)11-15(10-13)21-18(19)20-12-17(23)22(3)16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H3,19,20,21)
InChIKeyCLRJMFVWOPTXRK-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.82
Rot. Bonds4

About 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 119142479) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
PubChem CID119142479
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(C)cc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C18H28N4O/c1-13-9-14(2)11-15(10-13)21-18(19)20-12-17(23)22(3)16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H3,19,20,21)
InChIKeyCLRJMFVWOPTXRK-UHFFFAOYSA-N
XLogP2.82
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Dibutyl-3-(3,5-xylyl)urea
CID 4092838
(1E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(3-methylphenyl)urea
CID 136106112
3-Cyclohexyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 649300
3-Benzyl-2-(2-ethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655009
3-Benzyl-2-(3,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655768
3-Benzyl-2-(2,4-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 1454440
3-Phenethyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one
CID 1454452
2-(3,4-Dimethyl-phenylamino)-3-phenethyl-3,5-dihydro-imidazol-4-one
CID 1454456
N-(4-methylphenyl)-2-[(3-methylphenyl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2968952
3-cyclohexyl-6-[(3,5-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3236251
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 4844457
N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6470613

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (CID 119142479) is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is Cc1cc(C)cc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is CLRJMFVWOPTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-9-14(2)11-15(10-13)21-18(19)20-12-17(23)22(3)16-7-5-4-6-8-16/h9-11,16H,4-8,12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 316.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119142479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).