6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid

C18H24N2O4 — CID 119219776

IUPAC6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
SMILESCOCCn1cc(C(=O)NCCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C18H24N2O4/c1-24-12-11-20-13-15(14-7-4-5-8-16(14)20)18(23)19-10-6-2-3-9-17(21)22/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyFLGCYIWDXMLGBW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.66
Rot. Bonds10

About 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid

6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid (PubChem CID 119219776) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
PubChem CID119219776
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
SMILESCOCCn1cc(C(=O)NCCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C18H24N2O4/c1-24-12-11-20-13-15(14-7-4-5-8-16(14)20)18(23)19-10-6-2-3-9-17(21)22/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyFLGCYIWDXMLGBW-UHFFFAOYSA-N
XLogP2.66
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
5-[[1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]pentanoic acid
CID 175130499
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
ethyl 4-[3-(nonylcarbamoyl)indol-1-yl]butanoate
CID 22400562
3-[[1-(2-methoxyethyl)indole-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190099
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 71703519

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid (CID 119219776) is 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid is COCCn1cc(C(=O)NCCCCCC(=O)O)c2ccccc21.
What is the InChIKey of 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid?
The InChIKey is FLGCYIWDXMLGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-24-12-11-20-13-15(14-7-4-5-8-16(14)20)18(23)19-10-6-2-3-9-17(21)22/h4-5,7-8,13H,2-3,6,9-12H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid?
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).