2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide

C48H81N3O6 — CID 86183778

IUPAC2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
SMILESO=C(COC1CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H81N3O6/c52-46(49(37-19-7-1-8-20-37)38-21-9-2-10-22-38)34-55-43-31-44(56-35-47(53)50(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-45(32-43)57-36-48(54)51(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-45H,1-36H2
InChIKeyFRAGDACYLFLGQR-UHFFFAOYSA-N
MW796.19 g/mol
LogP9.81
Rot. Bonds15

About 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide

2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide (PubChem CID 86183778) has the molecular formula C48H81N3O6 and a molecular weight of 796.19 g/mol. Its IUPAC name is 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
PubChem CID86183778
Molecular FormulaC48H81N3O6
Molecular Weight796.19 g/mol
Exact Mass795.61
IUPAC Name2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
SMILESO=C(COC1CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H81N3O6/c52-46(49(37-19-7-1-8-20-37)38-21-9-2-10-22-38)34-55-43-31-44(56-35-47(53)50(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-45(32-43)57-36-48(54)51(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-45H,1-36H2
InChIKeyFRAGDACYLFLGQR-UHFFFAOYSA-N
XLogP9.81
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.19
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
4-(dicyclohexylamino)-4-oxobutanoate
CID 40784781
N-cyclohexyl-2-methoxy-N-piperidin-4-ylacetamide
CID 70252471
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N,N-dioctadecylacetamide
CID 601910
1-cyclohexyl-1-(4-propoxycyclohexyl)urea
CID 141312120
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
[2-(dicyclohexylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2411143
N',N'-dicyclohexyl-N-hydroxypropanediamide
CID 3049615

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide (CID 86183778) is 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide is O=C(COC1CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)CC(OCC(=O)N(C2CCCCC2)C2CCCCC2)C1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide?
The InChIKey is FRAGDACYLFLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H81N3O6/c52-46(49(37-19-7-1-8-20-37)38-21-9-2-10-22-38)34-55-43-31-44(56-35-47(53)50(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-45(32-43)57-36-48(54)51(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-45H,1-36H2.
What are the key properties of 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide?
2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide has a molecular weight of 796.19 g/mol, XLogP of 9.81, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide is sourced from PubChem (CID 86183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).