3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid

C15H22N2O4 — CID 63793879

IUPAC3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
SMILESCCN(CCOC)C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-17(9-10-21-2)15(20)16-8-7-12-5-4-6-13(11-12)14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRIUBRSJQYWTUIK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.61
Rot. Bonds8

About 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid

3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid (PubChem CID 63793879) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
PubChem CID63793879
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
SMILESCCN(CCOC)C(=O)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-3-17(9-10-21-2)15(20)16-8-7-12-5-4-6-13(11-12)14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRIUBRSJQYWTUIK-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
3-[[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]methyl]benzoic acid
CID 103339776
3-[2-[di(propan-2-yl)carbamoylamino]ethyl]benzoic acid
CID 166290393
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
3-[2-[[butan-2-yl(methyl)carbamoyl]amino]ethyl]benzoic acid
CID 63794758
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3-[2-[(2-ethoxyacetyl)amino]ethyl]benzoic acid
CID 63795816
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid (CID 63793879) is 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid is CCN(CCOC)C(=O)NCCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid?
The InChIKey is RIUBRSJQYWTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-17(9-10-21-2)15(20)16-8-7-12-5-4-6-13(11-12)14(18)19/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid?
3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 63793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).