N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

C14H20N2O2 — CID 80567149

IUPACN-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(COC)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-10(9-18-2)16-14(17)12-8-15-13-7-5-4-6-11(12)13/h4-7,10,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyBVFRLUHNRMOVFE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567149) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567149
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(COC)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-10(9-18-2)16-14(17)12-8-15-13-7-5-4-6-11(12)13/h4-7,10,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyBVFRLUHNRMOVFE-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107863327
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566385
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80567149) is N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is CCC(COC)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is BVFRLUHNRMOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10(9-18-2)16-14(17)12-8-15-13-7-5-4-6-11(12)13/h4-7,10,12,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).