N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide

C20H32N4O — CID 111095582

IUPACN-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCC(C)c1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C20H32N4O/c1-15(2)17-9-6-10-18(14-17)24-20(21)23-12-11-22-19(25)13-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyAVEAWUGSSQFOLQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide

N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide (PubChem CID 111095582) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
PubChem CID111095582
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCC(C)c1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C20H32N4O/c1-15(2)17-9-6-10-18(14-17)24-20(21)23-12-11-22-19(25)13-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyAVEAWUGSSQFOLQ-UHFFFAOYSA-N
XLogP3.62
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090870
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111075767
cyclopentyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111810898
N-[2-[[amino-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094927
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142489
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043065
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090978

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide (CID 111095582) is N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide is CC(C)c1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1.
What is the InChIKey of N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The InChIKey is AVEAWUGSSQFOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15(2)17-9-6-10-18(14-17)24-20(21)23-12-11-22-19(25)13-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3,(H,22,25)(H3,21,23,24).
What are the key properties of N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide has a molecular weight of 344.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 111095582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).