2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

C15H20N2O4 — CID 62818347

IUPAC2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1cccc(C(C)=O)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(15(3,4)13(19)20)14(21)16-12-8-6-7-11(9-12)10(2)18/h6-9H,5H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyZQIQTYFTVHHKSG-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid

2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62818347) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID62818347
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Nc1cccc(C(C)=O)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(15(3,4)13(19)20)14(21)16-12-8-6-7-11(9-12)10(2)18/h6-9H,5H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyZQIQTYFTVHHKSG-UHFFFAOYSA-N
XLogP2.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(3-nitrophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62817628
1-tert-butyl-1-ethyl-3-(3-hydroxyphenyl)urea
CID 108895856
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789138
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
N-(3-acetylphenyl)propanamide
CID 903063
2-[ethyl(1H-pyrazol-4-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62820587
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
2-[(3-acetamidobenzoyl)-tert-butylamino]acetic acid
CID 79264867
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
N-(3-acetylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962325

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid (CID 62818347) is 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)Nc1cccc(C(C)=O)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is ZQIQTYFTVHHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-17(15(3,4)13(19)20)14(21)16-12-8-6-7-11(9-12)10(2)18/h6-9H,5H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid?
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).