2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid

C18H25NO4 — CID 586333

IUPAC2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-19(14-6-8-15(23-2)9-7-14)16(20)12-18(13-17(21)22)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,21,22)
InChIKeyIBARYEVSJRIUFX-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.47
Rot. Bonds6

About 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 586333) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID586333
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-19(14-6-8-15(23-2)9-7-14)16(20)12-18(13-17(21)22)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,21,22)
InChIKeyIBARYEVSJRIUFX-UHFFFAOYSA-N
XLogP3.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Azetidinone, 1-(4-methoxyphenyl)-3,3-dimethyl-4-phenyl-
CID 11033292
5-Oxo-5-(4-phenoxyanilino)-3-phenylpentanoic acid
CID 2812801
2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 3244244
(1-{2-[(4-Methoxyphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
CID 830333
5-Oxo-5-(4-phenylmethoxyanilino)pentanoic acid
CID 4566654
3-Benzyl-4-[(4-methoxyphenyl)amino]-4-oxobutanoic acid
CID 3826964
(1-{2-[(3-Methoxyphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
CID 662522
2-[(4-Methoxy-phenylcarbamoyl)-methyl]-3-phenyl-butyric acid
CID 3139430
3-[(4-Methoxyanilino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid
CID 579629
8-(4-Methoxyphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 1552640
(5S,7R,8R)-8-hydroxy-7-propyl-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546469
(5S,7S,8R)-8-hydroxy-7-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546470

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid (CID 586333) is 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid is COc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is IBARYEVSJRIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-19(14-6-8-15(23-2)9-7-14)16(20)12-18(13-17(21)22)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 586333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).