N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide

C18H34N2O2 — CID 87017395

IUPACN-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NCCCOC1CCCCC1)C1CCCC1
InChIInChI=1S/C18H34N2O2/c1-2-20(16-9-6-7-10-16)15-18(21)19-13-8-14-22-17-11-4-3-5-12-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyYTTGLIJVMJTFBW-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.11
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide

N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide (PubChem CID 87017395) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
PubChem CID87017395
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NCCCOC1CCCCC1)C1CCCC1
InChIInChI=1S/C18H34N2O2/c1-2-20(16-9-6-7-10-16)15-18(21)19-13-8-14-22-17-11-4-3-5-12-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyYTTGLIJVMJTFBW-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide (CID 87017395) is N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide is CCN(CC(=O)NCCCOC1CCCCC1)C1CCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide?
The InChIKey is YTTGLIJVMJTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-2-20(16-9-6-7-10-16)15-18(21)19-13-8-14-22-17-11-4-3-5-12-17/h16-17H,2-15H2,1H3,(H,19,21).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide?
N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide has a molecular weight of 310.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide is sourced from PubChem (CID 87017395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).