2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide

C24H34N2O4 — CID 24534031

IUPAC2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N2O4/c1-17(27)19-13-14-22(25-18(2)28)23(15-19)30-16-24(29)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-15,20-21H,3-12,16H2,1-2H3,(H,25,28)
InChIKeyQXZISEMTCVCPHM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.72
Rot. Bonds7

About 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide

2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide (PubChem CID 24534031) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
PubChem CID24534031
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N2O4/c1-17(27)19-13-14-22(25-18(2)28)23(15-19)30-16-24(29)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-15,20-21H,3-12,16H2,1-2H3,(H,25,28)
InChIKeyQXZISEMTCVCPHM-UHFFFAOYSA-N
XLogP4.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
CID 52568362
2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 24534041
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
2-(2-acetamido-5-acetylphenoxy)-N-ethylacetamide
CID 24534036
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
N-cyclopentyl-N-cyclopropyl-2-naphthalen-1-yloxyacetamide
CID 112818381
2-(2-acetamido-5-acetylphenoxy)-N-(3-fluorophenyl)acetamide
CID 24534011
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide?
The IUPAC name of 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide (CID 24534031) is 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide is CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide?
The InChIKey is QXZISEMTCVCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-17(27)19-13-14-22(25-18(2)28)23(15-19)30-16-24(29)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h13-15,20-21H,3-12,16H2,1-2H3,(H,25,28).
What are the key properties of 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide?
2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide has a molecular weight of 414.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-acetylphenoxy)-N,N-dicyclohexylacetamide is sourced from PubChem (CID 24534031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).