2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid

C15H22N2O4 — CID 63691296

IUPAC2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
SMILESCCOCCN(CC)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(10-11-21-5-2)15(20)16(3)13-9-7-6-8-12(13)14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyXAEBQZQTFABMMF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds7

About 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid

2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid (PubChem CID 63691296) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
PubChem CID63691296
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
SMILESCCOCCN(CC)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-17(10-11-21-5-2)15(20)16(3)13-9-7-6-8-12(13)14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyXAEBQZQTFABMMF-UHFFFAOYSA-N
XLogP2.30
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 61185339
2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-[methyl-[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 113498695
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
CID 61196584
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid (CID 63691296) is 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid is CCOCCN(CC)C(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid?
The InChIKey is XAEBQZQTFABMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(10-11-21-5-2)15(20)16(3)13-9-7-6-8-12(13)14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid?
2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid is sourced from PubChem (CID 63691296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).