methyl 6-(1H-indole-2-carbonylamino)hexanoate

C16H20N2O3 — CID 43407298

IUPACmethyl 6-(1H-indole-2-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-21-15(19)9-3-2-6-10-17-16(20)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,17,20)
InChIKeyMUEBKRQAWYYBEQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds7

About methyl 6-(1H-indole-2-carbonylamino)hexanoate

methyl 6-(1H-indole-2-carbonylamino)hexanoate (PubChem CID 43407298) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 6-(1H-indole-2-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(1H-indole-2-carbonylamino)hexanoate
PubChem CID43407298
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 6-(1H-indole-2-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-21-15(19)9-3-2-6-10-17-16(20)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,17,20)
InChIKeyMUEBKRQAWYYBEQ-UHFFFAOYSA-N
XLogP2.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
ethyl 4-[4-(1H-indole-2-carbonylamino)butanoyl]piperazine-1-carboxylate
CID 42568817

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-indole-2-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(1H-indole-2-carbonylamino)hexanoate (CID 43407298) is methyl 6-(1H-indole-2-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(1H-indole-2-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(1H-indole-2-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of methyl 6-(1H-indole-2-carbonylamino)hexanoate?
The InChIKey is MUEBKRQAWYYBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-15(19)9-3-2-6-10-17-16(20)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18H,2-3,6,9-10H2,1H3,(H,17,20).
What are the key properties of methyl 6-(1H-indole-2-carbonylamino)hexanoate?
methyl 6-(1H-indole-2-carbonylamino)hexanoate has a molecular weight of 288.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-indole-2-carbonylamino)hexanoate is sourced from PubChem (CID 43407298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).