3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid

C15H22N2O3 — CID 61207119

IUPAC3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O3/c1-4-16(10-9-14(18)19)15(20)17(5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyCGWVUJDOUJVXRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.74
Rot. Bonds6

About 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid

3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61207119) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
PubChem CID61207119
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O3/c1-4-16(10-9-14(18)19)15(20)17(5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyCGWVUJDOUJVXRV-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
CID 61206742
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82014581
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid (CID 61207119) is 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is CGWVUJDOUJVXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16(10-9-14(18)19)15(20)17(5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61207119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).