3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid

C15H22N2O4 — CID 107843104

IUPAC3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-3-17(10-8-14(18)19)15(20)16-9-7-12-5-4-6-13(11-12)21-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACTRQFBWKGBXQN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds8

About 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid

3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 107843104) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
PubChem CID107843104
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-3-17(10-8-14(18)19)15(20)16-9-7-12-5-4-6-13(11-12)21-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACTRQFBWKGBXQN-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
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3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61417820
3-[2-(3-ethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122007192
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
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CID 63793879
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid (CID 107843104) is 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is ACTRQFBWKGBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-17(10-8-14(18)19)15(20)16-9-7-12-5-4-6-13(11-12)21-2/h4-6,11H,3,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid?
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 107843104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).