2-(2-amino-N-propylanilino)-N-cyclohexylacetamide

C17H27N3O — CID 63230630

IUPAC2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
SMILESCCCN(CC(=O)NC1CCCCC1)c1ccccc1N
InChIInChI=1S/C17H27N3O/c1-2-12-20(16-11-7-6-10-15(16)18)13-17(21)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3,(H,19,21)
InChIKeyVKGDHVCMKAGIEZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.93
Rot. Bonds6

About 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide

2-(2-amino-N-propylanilino)-N-cyclohexylacetamide (PubChem CID 63230630) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
PubChem CID63230630
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
SMILESCCCN(CC(=O)NC1CCCCC1)c1ccccc1N
InChIInChI=1S/C17H27N3O/c1-2-12-20(16-11-7-6-10-15(16)18)13-17(21)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3,(H,19,21)
InChIKeyVKGDHVCMKAGIEZ-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
CID 63230718
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide (CID 63230630) is 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide is CCCN(CC(=O)NC1CCCCC1)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide?
The InChIKey is VKGDHVCMKAGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-12-20(16-11-7-6-10-15(16)18)13-17(21)19-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,18H2,1H3,(H,19,21).
What are the key properties of 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide?
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-propylanilino)-N-cyclohexylacetamide is sourced from PubChem (CID 63230630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).