N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide

C14H18N2O2 — CID 47432269

IUPACN-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
SMILESCOCC(C)CNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-10(9-18-2)8-16-14(17)12-4-3-11-5-6-15-13(11)7-12/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyKXEMXXORDDMKIO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.18
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide

N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide (PubChem CID 47432269) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
PubChem CID47432269
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
SMILESCOCC(C)CNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-10(9-18-2)8-16-14(17)12-4-3-11-5-6-15-13(11)7-12/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyKXEMXXORDDMKIO-UHFFFAOYSA-N
XLogP2.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
CID 113336626
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide (CID 47432269) is N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide is COCC(C)CNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide?
The InChIKey is KXEMXXORDDMKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(9-18-2)8-16-14(17)12-4-3-11-5-6-15-13(11)7-12/h3-7,10,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide?
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 47432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).