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

C16H24N2O3 — CID 82014581

IUPAC5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NCC(C)CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-18(14-7-5-6-12(2)10-14)16(21)17-11-13(3)8-9-15(19)20/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyNTBJERRRVAKPMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds7

About 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid

5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 82014581) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID82014581
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)NCC(C)CCC(=O)O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-18(14-7-5-6-12(2)10-14)16(21)17-11-13(3)8-9-15(19)20/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyNTBJERRRVAKPMU-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid (CID 82014581) is 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)NCC(C)CCC(=O)O)c1cccc(C)c1.
What is the InChIKey of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is NTBJERRRVAKPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(14-7-5-6-12(2)10-14)16(21)17-11-13(3)8-9-15(19)20/h5-7,10,13H,4,8-9,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid?
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82014581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).