2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

C17H26N4O2 — CID 119142445

IUPAC2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCOc1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-21(14-8-4-3-5-9-14)16(22)12-19-17(18)20-13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H3,18,19,20)
InChIKeyBOTUORAVNGYGSA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.21
Rot. Bonds5

About 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 119142445) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
PubChem CID119142445
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCOc1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-21(14-8-4-3-5-9-14)16(22)12-19-17(18)20-13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H3,18,19,20)
InChIKeyBOTUORAVNGYGSA-UHFFFAOYSA-N
XLogP2.21
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142489
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111056168
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111096457
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
ethyl N-[2-[[amino-(3-methoxyanilino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812442
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (CID 119142445) is 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is COc1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is BOTUORAVNGYGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21(14-8-4-3-5-9-14)16(22)12-19-17(18)20-13-7-6-10-15(11-13)23-2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119142445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).