2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid

C15H21NO5 — CID 103429010

IUPAC2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
SMILESCOCCOCCNC(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H21NO5/c1-10-4-5-11(2)13(15(18)19)12(10)14(17)16-6-7-21-9-8-20-3/h4-5H,6-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXOVJCGZDGNZRKG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.39
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid

2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid (PubChem CID 103429010) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
PubChem CID103429010
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
SMILESCOCCOCCNC(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H21NO5/c1-10-4-5-11(2)13(15(18)19)12(10)14(17)16-6-7-21-9-8-20-3/h4-5H,6-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXOVJCGZDGNZRKG-UHFFFAOYSA-N
XLogP1.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-hydroxy-4-methoxybutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 106244270
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
2-(4-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 106840416
2-[(2-methoxy-2-methylpropyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429282
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid (CID 103429010) is 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid is COCCOCCNC(=O)c1c(C)ccc(C)c1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid?
The InChIKey is XOVJCGZDGNZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-4-5-11(2)13(15(18)19)12(10)14(17)16-6-7-21-9-8-20-3/h4-5H,6-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid?
2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103429010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).