2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide

C17H33N3O — CID 60980547

IUPAC2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
SMILESCN(CCCNCC(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-20(16-10-3-2-4-11-16)13-7-12-18-14-17(21)19-15-8-5-6-9-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyVAGWNJSPQMJNHK-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.29
Rot. Bonds8

About 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide

2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide (PubChem CID 60980547) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
PubChem CID60980547
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
SMILESCN(CCCNCC(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-20(16-10-3-2-4-11-16)13-7-12-18-14-17(21)19-15-8-5-6-9-15/h15-16,18H,2-14H2,1H3,(H,19,21)
InChIKeyVAGWNJSPQMJNHK-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
CID 63100245
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
methyl 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylbut-2-enoate
CID 103240517
N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 113327343

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide (CID 60980547) is 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide is CN(CCCNCC(=O)NC1CCCC1)C1CCCCC1.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide?
The InChIKey is VAGWNJSPQMJNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-20(16-10-3-2-4-11-16)13-7-12-18-14-17(21)19-15-8-5-6-9-15/h15-16,18H,2-14H2,1H3,(H,19,21).
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide?
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 60980547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).