4-methoxy-1-(3-methylbutyl)indole-2-carboxamide

C15H20N2O2 — CID 175749965

IUPAC4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2CCC(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)7-8-17-12-5-4-6-14(19-3)11(12)9-13(17)15(16)18/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18)
InChIKeySIJZOGCKMMNXIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.79
Rot. Bonds5

About 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide

4-methoxy-1-(3-methylbutyl)indole-2-carboxamide (PubChem CID 175749965) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
PubChem CID175749965
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
SMILESCOc1cccc2c1cc(C(N)=O)n2CCC(C)C
InChIInChI=1S/C15H20N2O2/c1-10(2)7-8-17-12-5-4-6-14(19-3)11(12)9-13(17)15(16)18/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18)
InChIKeySIJZOGCKMMNXIJ-UHFFFAOYSA-N
XLogP2.79
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-[2-(3-amino-3-oxopropyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 172745687
2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
CID 151219677
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
1-[(2S)-1-[[1-amino-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxyindole-2-carboxamide
CID 175871154
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
4-methoxy-1-methylindol-2-ol
CID 57183322
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
2-(2,6-dimethoxyphenoxy)propanehydrazide
CID 63575102
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
CID 83918556

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide?
The IUPAC name of 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide (CID 175749965) is 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide?
The canonical SMILES for 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide is COc1cccc2c1cc(C(N)=O)n2CCC(C)C.
What is the InChIKey of 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide?
The InChIKey is SIJZOGCKMMNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)7-8-17-12-5-4-6-14(19-3)11(12)9-13(17)15(16)18/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide?
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(3-methylbutyl)indole-2-carboxamide is sourced from PubChem (CID 175749965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).