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

C19H30N4O — CID 111095574

IUPACN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c1-2-15-9-6-10-17(13-15)23-19(20)22-12-11-21-18(24)14-16-7-4-3-5-8-16/h6,9-10,13,16H,2-5,7-8,11-12,14H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyIPANEXRTZZTVBT-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide (PubChem CID 111095574) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
PubChem CID111095574
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c1-2-15-9-6-10-17(13-15)23-19(20)22-12-11-21-18(24)14-16-7-4-3-5-8-16/h6,9-10,13,16H,2-5,7-8,11-12,14H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyIPANEXRTZZTVBT-UHFFFAOYSA-N
XLogP3.06
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.06
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-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094994
N-[2-[[amino-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094927
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905
2-(2-cycloheptyloxyethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111812536
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111075611
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111043687
tert-butyl 3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111082976

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide (CID 111095574) is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide is CCc1cccc(N/C(N)=N/CCNC(=O)CC2CCCCC2)c1.
What is the InChIKey of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The InChIKey is IPANEXRTZZTVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-15-9-6-10-17(13-15)23-19(20)22-12-11-21-18(24)14-16-7-4-3-5-8-16/h6,9-10,13,16H,2-5,7-8,11-12,14H2,1H3,(H,21,24)(H3,20,22,23).
What are the key properties of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide has a molecular weight of 330.48 g/mol, XLogP of 3.06, 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-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 111095574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).