2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide

C14H26N2O3 — CID 113159417

IUPAC2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-12(17)16(13-7-4-3-5-8-13)11-14(18)15-9-6-10-19-2/h13H,3-11H2,1-2H3,(H,15,18)
InChIKeyIHQVJDLFJMSKMU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds7

About 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide

2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 113159417) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID113159417
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-12(17)16(13-7-4-3-5-8-13)11-14(18)15-9-6-10-19-2/h13H,3-11H2,1-2H3,(H,15,18)
InChIKeyIHQVJDLFJMSKMU-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
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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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide (CID 113159417) is 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C(C)=O)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is IHQVJDLFJMSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(17)16(13-7-4-3-5-8-13)11-14(18)15-9-6-10-19-2/h13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide?
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 270.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113159417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).