(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate

C21H21NO5 — CID 4235517

IUPAC(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OC1CCCCC1=O
InChIInChI=1S/C21H21NO5/c23-18-8-4-5-9-19(18)27-20(24)14-22-21(25)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14H2,(H,22,25)
InChIKeyITHIIPPDVQTGRB-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.26
Rot. Bonds6

About (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate

(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 4235517) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID4235517
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OC1CCCCC1=O
InChIInChI=1S/C21H21NO5/c23-18-8-4-5-9-19(18)27-20(24)14-22-21(25)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14H2,(H,22,25)
InChIKeyITHIIPPDVQTGRB-UHFFFAOYSA-N
XLogP3.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-(Propan-2-yloxy)phenyl)formamido)acetic acid
CID 870166
4-(4-((Phenethylamino)methyl)phenoxy)benzamide
CID 44434950
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
AdipoRon
CID 16307093
4-Methyoxybenzoyl-N-glycine
CID 128847
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
CID 90896292
(2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
CID 134179072
Benzamide, N-tetrahydrofurfuryl-4-methoxy-
CID 532275
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 2222926

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate (CID 4235517) is (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is ITHIIPPDVQTGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c23-18-8-4-5-9-19(18)27-20(24)14-22-21(25)15-10-12-17(13-11-15)26-16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14H2,(H,22,25).
What are the key properties of (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate?
(2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 367.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 4235517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).