2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid

C16H21NO4 — CID 43214278

IUPAC2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
SMILESCN(C(=O)COc1ccccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H21NO4/c1-17(12-7-3-2-4-8-12)15(18)11-21-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVGDIVYUJYVOXJJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.55
Rot. Bonds5

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid

2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid (PubChem CID 43214278) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
PubChem CID43214278
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
SMILESCN(C(=O)COc1ccccc1C(=O)O)C1CCCCC1
InChIInChI=1S/C16H21NO4/c1-17(12-7-3-2-4-8-12)15(18)11-21-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVGDIVYUJYVOXJJ-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-iodobenzoate
CID 71823696

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid (CID 43214278) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid is CN(C(=O)COc1ccccc1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid?
The InChIKey is VGDIVYUJYVOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(12-7-3-2-4-8-12)15(18)11-21-14-10-6-5-9-13(14)16(19)20/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid?
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).