N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide

C16H22N2O3 — CID 115599717

IUPACN-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
SMILESCOCCOCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H22N2O3/c1-20-10-11-21-9-5-4-8-17-16(19)15-12-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyAFYMHFUPPFRPDC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.34
Rot. Bonds9

About N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide

N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide (PubChem CID 115599717) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
PubChem CID115599717
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
SMILESCOCCOCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H22N2O3/c1-20-10-11-21-9-5-4-8-17-16(19)15-12-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyAFYMHFUPPFRPDC-UHFFFAOYSA-N
XLogP2.34
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.34
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-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide (CID 115599717) is N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide is COCCOCCCCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide?
The InChIKey is AFYMHFUPPFRPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-10-11-21-9-5-4-8-17-16(19)15-12-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide?
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 115599717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).