4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid

C16H24N2O3 — CID 62049262

IUPAC4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NC(C)(C)CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-5-18(13-8-6-7-12(2)11-13)15(21)17-16(3,4)10-9-14(19)20/h6-8,11H,5,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyXQZPMNCKFLCHMY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds6

About 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid

4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 62049262) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID62049262
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NC(C)(C)CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-5-18(13-8-6-7-12(2)11-13)15(21)17-16(3,4)10-9-14(19)20/h6-8,11H,5,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyXQZPMNCKFLCHMY-UHFFFAOYSA-N
XLogP3.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048002
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82014581
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
4-methyl-4-[3-(3-methylphenyl)prop-2-enoylamino]pentanoic acid
CID 76931821
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid (CID 62049262) is 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)NC(C)(C)CCC(=O)O)c1cccc(C)c1.
What is the InChIKey of 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is XQZPMNCKFLCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(13-8-6-7-12(2)11-13)15(21)17-16(3,4)10-9-14(19)20/h6-8,11H,5,9-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62049262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).