5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide

C16H22N2O2 — CID 113204847

IUPAC5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCC(C)C)c(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)7-8-17-16(19)15-11(3)13-9-12(20-4)5-6-14(13)18-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyAOXYWWRVDPMBCY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.26
Rot. Bonds5

About 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide

5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide (PubChem CID 113204847) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
PubChem CID113204847
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCC(C)C)c(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)7-8-17-16(19)15-11(3)13-9-12(20-4)5-6-14(13)18-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyAOXYWWRVDPMBCY-UHFFFAOYSA-N
XLogP3.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
5-methoxy-3-methyl-N-[2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propyl]-1H-indole-2-carboxamide
CID 166396962
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 125387938
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
CID 118071490
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide (CID 113204847) is 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCC(C)C)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The InChIKey is AOXYWWRVDPMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)7-8-17-16(19)15-11(3)13-9-12(20-4)5-6-14(13)18-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide?
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).