N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide

C15H20N2O2 — CID 113204340

IUPACN-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
SMILESCOCCCNC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C15H20N2O2/c1-11-12-7-4-5-8-13(12)17(2)14(11)15(18)16-9-6-10-19-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyIOOJVKAPKBOJQM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds5

About N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide

N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide (PubChem CID 113204340) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
PubChem CID113204340
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
SMILESCOCCCNC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C15H20N2O2/c1-11-12-7-4-5-8-13(12)17(2)14(11)15(18)16-9-6-10-19-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyIOOJVKAPKBOJQM-UHFFFAOYSA-N
XLogP2.25
TPSA43.26 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 7463347
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893916
4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
1,3,5-trimethyl-N-[2-(pyridine-2-carbonylamino)ethyl]indole-2-carboxamide
CID 46964508
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-butyl-3-methyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377462
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
CID 110497281

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide (CID 113204340) is N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide is COCCCNC(=O)c1c(C)c2ccccc2n1C.
What is the InChIKey of N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide?
The InChIKey is IOOJVKAPKBOJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-12-7-4-5-8-13(12)17(2)14(11)15(18)16-9-6-10-19-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide?
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 113204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).