6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid

C16H24N2O3 — CID 61185010

IUPAC6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-18(13-14-9-5-3-6-10-14)16(21)17-12-8-4-7-11-15(19)20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,19,20)
InChIKeyAWDKZTAHBJLUFU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.86
Rot. Bonds9

About 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid

6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid (PubChem CID 61185010) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
PubChem CID61185010
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
SMILESCCN(Cc1ccccc1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-2-18(13-14-9-5-3-6-10-14)16(21)17-12-8-4-7-11-15(19)20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,19,20)
InChIKeyAWDKZTAHBJLUFU-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-chlorophenyl)methyl-ethylcarbamoyl]amino]butanoic acid
CID 122021633
4-[[benzyl(2-methylprop-2-enyl)carbamoyl]amino]butanoic acid
CID 122022564
4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122021626
5-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 82846735
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
3-[[benzyl(2,2-dimethylpropyl)carbamoyl]amino]propanoic acid
CID 122019025
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid (CID 61185010) is 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid is CCN(Cc1ccccc1)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is AWDKZTAHBJLUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18(13-14-9-5-3-6-10-14)16(21)17-12-8-4-7-11-15(19)20/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid?
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61185010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).