N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide

C68H104N4O8 — CID 162174733

IUPACN,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
SMILESO=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C34H52N2O4/c2*37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2*13-14,23-24,27-30H,1-12,15-22,25-26H2
InChIKeyZOFWKDJWBKHCGY-UHFFFAOYSA-N
MW1105.60 g/mol
LogP14.86
Rot. Bonds20

About N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide

N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide (PubChem CID 162174733) has the molecular formula C68H104N4O8 and a molecular weight of 1105.60 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
PubChem CID162174733
Molecular FormulaC68H104N4O8
Molecular Weight1105.60 g/mol
Exact Mass1104.79
IUPAC NameN,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
SMILESO=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C34H52N2O4/c2*37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2*13-14,23-24,27-30H,1-12,15-22,25-26H2
InChIKeyZOFWKDJWBKHCGY-UHFFFAOYSA-N
XLogP14.86
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.60
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
N-cyclopentyl-N-cyclopropyl-2-naphthalen-1-yloxyacetamide
CID 112818381
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-2-[2-[2-[cyclohexyl(hexan-3-yl)amino]-2-oxoethoxy]phenoxy]-N-hexan-3-ylacetamide;ethane
CID 143702475
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24562064
2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
CID 24534031
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
CID 86183778

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide (CID 162174733) is N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide is O=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide?
The InChIKey is ZOFWKDJWBKHCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H52N2O4/c2*37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2*13-14,23-24,27-30H,1-12,15-22,25-26H2.
What are the key properties of N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide?
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide has a molecular weight of 1105.60 g/mol, XLogP of 14.86, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide is sourced from PubChem (CID 162174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).