2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide

C44H84N2O3 — CID 162714855

IUPAC2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C44H84N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33-38-45-43(47)39-49-40-44(48)46(41-34-29-27-30-35-41)42-36-31-28-32-37-42/h41-42H,2-40H2,1H3,(H,45,47)
InChIKeyHAMNOBNIZCXGNZ-UHFFFAOYSA-N
MW689.17 g/mol
LogP12.78
Rot. Bonds33

About 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide

2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide (PubChem CID 162714855) has the molecular formula C44H84N2O3 and a molecular weight of 689.17 g/mol. Its IUPAC name is 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide.

Molecular Properties

Compound Name2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
PubChem CID162714855
Molecular FormulaC44H84N2O3
Molecular Weight689.17 g/mol
Exact Mass688.65
IUPAC Name2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C44H84N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33-38-45-43(47)39-49-40-44(48)46(41-34-29-27-30-35-41)42-36-31-28-32-37-42/h41-42H,2-40H2,1H3,(H,45,47)
InChIKeyHAMNOBNIZCXGNZ-UHFFFAOYSA-N
XLogP12.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.17
LogP ≤ 512.78
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-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
CID 601910
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
2-cyclohexyl-N-octylacetamide
CID 3547359
2-[2-[ethyl(methyl)amino]ethoxy]-N-hexylacetamide
CID 170742438
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
CID 170742428
3-cyclohexyl-N-undecylpropanamide
CID 5146202
3-[cycloheptyl(methylsulfonyl)amino]-N-pentylpropanamide
CID 113141017
2-methoxy-N-nonylacetamide
CID 86922058
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide?
The IUPAC name of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide (CID 162714855) is 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide.
What is the SMILES notation for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide?
The canonical SMILES for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)COCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide?
The InChIKey is HAMNOBNIZCXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33-38-45-43(47)39-49-40-44(48)46(41-34-29-27-30-35-41)42-36-31-28-32-37-42/h41-42H,2-40H2,1H3,(H,45,47).
What are the key properties of 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide?
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide has a molecular weight of 689.17 g/mol, XLogP of 12.78, 33 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide is sourced from PubChem (CID 162714855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).