2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid

C14H21NO4 — CID 54593533

IUPAC2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
SMILESCOCCN(CCOC)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-11-4-5-13(12(10-11)14(16)17)15(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyHOOVWKXAPBHQGY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.79
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid

2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid (PubChem CID 54593533) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
PubChem CID54593533
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid
SMILESCOCCN(CCOC)c1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-11-4-5-13(12(10-11)14(16)17)15(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyHOOVWKXAPBHQGY-UHFFFAOYSA-N
XLogP1.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 61446574
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
2-[2-hydroxyethyl(methyl)amino]-5-methylbenzoic acid
CID 62514138
4-methoxy-2-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 81300936
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid (CID 54593533) is 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid is COCCN(CCOC)c1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid?
The InChIKey is HOOVWKXAPBHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11-4-5-13(12(10-11)14(16)17)15(6-8-18-2)7-9-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid?
2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 54593533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).