N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane

C42H80N2O4 — CID 143702475

IUPACN-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane
SMILESCC.CC.CC.CC.CCCC(CC)N(C(=O)COc1ccccc1OCC(=O)N(C(CC)CCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H56N2O4.4C2H6/c1-5-17-27(7-3)35(29-19-11-9-12-20-29)33(37)25-39-31-23-15-16-24-32(31)40-26-34(38)36(28(8-4)18-6-2)30-21-13-10-14-22-30;4*1-2/h15-16,23-24,27-30H,5-14,17-22,25-26H2,1-4H3;4*1-2H3
InChIKeyQHKKLTQKLKQMPE-UHFFFAOYSA-N
MW677.11 g/mol
LogP12.03
Rot. Bonds16

About N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane

N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane (PubChem CID 143702475) has the molecular formula C42H80N2O4 and a molecular weight of 677.11 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane
PubChem CID143702475
Molecular FormulaC42H80N2O4
Molecular Weight677.11 g/mol
Exact Mass676.61
IUPAC NameN-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane
SMILESCC.CC.CC.CC.CCCC(CC)N(C(=O)COc1ccccc1OCC(=O)N(C(CC)CCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H56N2O4.4C2H6/c1-5-17-27(7-3)35(29-19-11-9-12-20-29)33(37)25-39-31-23-15-16-24-32(31)40-26-34(38)36(28(8-4)18-6-2)30-21-13-10-14-22-30;4*1-2/h15-16,23-24,27-30H,5-14,17-22,25-26H2,1-4H3;4*1-2H3
InChIKeyQHKKLTQKLKQMPE-UHFFFAOYSA-N
XLogP12.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.11
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide
CID 61028307
N-cyclopentyl-N-cyclopropyl-2-naphthalen-1-yloxyacetamide
CID 112818381
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane?
The IUPAC name of N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane (CID 143702475) is N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane.
What is the SMILES notation for N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane?
The canonical SMILES for N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane is CC.CC.CC.CC.CCCC(CC)N(C(=O)COc1ccccc1OCC(=O)N(C(CC)CCC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane?
The InChIKey is QHKKLTQKLKQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2O4.4C2H6/c1-5-17-27(7-3)35(29-19-11-9-12-20-29)33(37)25-39-31-23-15-16-24-32(31)40-26-34(38)36(28(8-4)18-6-2)30-21-13-10-14-22-30;4*1-2/h15-16,23-24,27-30H,5-14,17-22,25-26H2,1-4H3;4*1-2H3.
What are the key properties of N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane?
N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane has a molecular weight of 677.11 g/mol, XLogP of 12.03, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane is sourced from PubChem (CID 143702475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).