ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate

C19H36N2O4 — CID 55794353

IUPACethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H36N2O4/c1-2-24-18(22)13-8-3-4-9-14-20-19(23)21-15-10-16-25-17-11-6-5-7-12-17/h17H,2-16H2,1H3,(H2,20,21,23)
InChIKeyZIRKSPBQAAQKGU-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.54
Rot. Bonds13

About ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate

ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate (PubChem CID 55794353) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate.

Molecular Properties

Compound Nameethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
PubChem CID55794353
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Nameethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H36N2O4/c1-2-24-18(22)13-8-3-4-9-14-20-19(23)21-15-10-16-25-17-11-6-5-7-12-17/h17H,2-16H2,1H3,(H2,20,21,23)
InChIKeyZIRKSPBQAAQKGU-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193
ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
ethyl 6-piperidin-3-yloxyhexanoate
CID 106939322
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 7-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]heptanoate;hydroiodide
CID 110992528
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate?
The IUPAC name of ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate (CID 55794353) is ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate.
What is the SMILES notation for ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate?
The canonical SMILES for ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate is CCOC(=O)CCCCCCNC(=O)NCCCOC1CCCCC1.
What is the InChIKey of ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate?
The InChIKey is ZIRKSPBQAAQKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-2-24-18(22)13-8-3-4-9-14-20-19(23)21-15-10-16-25-17-11-6-5-7-12-17/h17H,2-16H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate?
ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate has a molecular weight of 356.51 g/mol, XLogP of 3.54, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-cyclohexyloxypropylcarbamoylamino)heptanoate is sourced from PubChem (CID 55794353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).