N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide

C13H16N2O2 — CID 18712226

IUPACN-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
SMILESCOCC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(8-17-2)15-13(16)11-7-14-12-6-4-3-5-10(11)12/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyKFAWHLXNUFLKLE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide

N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide (PubChem CID 18712226) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
PubChem CID18712226
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
SMILESCOCC(C)NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(8-17-2)15-13(16)11-7-14-12-6-4-3-5-10(11)12/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyKFAWHLXNUFLKLE-UHFFFAOYSA-N
XLogP1.93
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(2S)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907038
N-[(2R)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907040
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 103802992
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide (CID 18712226) is N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide is COCC(C)NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is KFAWHLXNUFLKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(8-17-2)15-13(16)11-7-14-12-6-4-3-5-10(11)12/h3-7,9,14H,8H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide?
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 18712226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).