2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid

C16H23NO5 — CID 120691893

IUPAC2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
SMILESCCCCN(CCOC)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H23NO5/c1-3-4-8-17(9-10-21-2)16(20)13-6-5-7-14(11-13)22-12-15(18)19/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,18,19)
InChIKeyPRCKJXFHSYHRFG-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.04
Rot. Bonds10

About 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid

2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 120691893) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
PubChem CID120691893
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
SMILESCCCCN(CCOC)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H23NO5/c1-3-4-8-17(9-10-21-2)16(20)13-6-5-7-14(11-13)22-12-15(18)19/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,18,19)
InChIKeyPRCKJXFHSYHRFG-UHFFFAOYSA-N
XLogP2.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 119186550
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-methoxy-N,N-dipropylbenzamide
CID 669439
2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
CID 119179589
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
3-[(3-butoxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide
CID 26162655
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[3-[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187218

Frequently Asked Questions

What is the IUPAC name of 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid (CID 120691893) is 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid is CCCCN(CCOC)C(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is PRCKJXFHSYHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-3-4-8-17(9-10-21-2)16(20)13-6-5-7-14(11-13)22-12-15(18)19/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 309.36 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120691893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).