5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid

C15H22N2O3 — CID 82849236

IUPAC5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
SMILESCc1cccc(N(C)C(=O)NC(C)CCCC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyYVHSEBCAUFDFON-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.78
Rot. Bonds6

About 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid

5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid (PubChem CID 82849236) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
PubChem CID82849236
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
SMILESCc1cccc(N(C)C(=O)NC(C)CCCC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyYVHSEBCAUFDFON-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
2-methyl-6-[[methyl(phenyl)carbamoyl]amino]heptanoic acid
CID 65285289
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82014581
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
3-[N-(2,2-difluoroethyl)-3-methylanilino]propanoic acid
CID 154398395
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid (CID 82849236) is 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid is Cc1cccc(N(C)C(=O)NC(C)CCCC(=O)O)c1.
What is the InChIKey of 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid?
The InChIKey is YVHSEBCAUFDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-4-8-13(10-11)17(3)15(20)16-12(2)7-5-9-14(18)19/h4,6,8,10,12H,5,7,9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid?
5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82849236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).