2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid

C16H21NO5 — CID 136556476

IUPAC2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
SMILESCOC1CCC(NC(=O)c2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO5/c1-21-13-8-4-12(5-9-13)17-16(20)11-2-6-14(7-3-11)22-10-15(18)19/h2-3,6-7,12-13H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGQTMYSGCZRNVHG-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.84
Rot. Bonds6

About 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid

2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid (PubChem CID 136556476) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
PubChem CID136556476
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
SMILESCOC1CCC(NC(=O)c2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO5/c1-21-13-8-4-12(5-9-13)17-16(20)11-2-6-14(7-3-11)22-10-15(18)19/h2-3,6-7,12-13H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGQTMYSGCZRNVHG-UHFFFAOYSA-N
XLogP1.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
4-butoxy-N-cyclobutylbenzamide
CID 71449411
2-[4-(cyclopropylcarbamoyl)phenoxy]propanoic acid
CID 82021009
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-cyclopentyl-4-[2-(ethylcarbamoylamino)-2-oxoethoxy]benzamide
CID 51100623
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-cyclopentyl-4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzamide
CID 95310406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid (CID 136556476) is 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid is COC1CCC(NC(=O)c2ccc(OCC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GQTMYSGCZRNVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-13-8-4-12(5-9-13)17-16(20)11-2-6-14(7-3-11)22-10-15(18)19/h2-3,6-7,12-13H,4-5,8-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid?
2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 136556476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).