5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide

C13H16N2O2 — CID 110847836

IUPAC5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C13H16N2O2/c1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12/h4-8,15H,1-3H3,(H,14,16)
InChIKeySZLCUGIYXMPZLM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.31
Rot. Bonds3

About 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide

5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 110847836) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID110847836
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C13H16N2O2/c1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12/h4-8,15H,1-3H3,(H,14,16)
InChIKeySZLCUGIYXMPZLM-UHFFFAOYSA-N
XLogP2.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide (CID 110847836) is 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC(C)C)cc2c1.
What is the InChIKey of 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is SZLCUGIYXMPZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12/h4-8,15H,1-3H3,(H,14,16).
What are the key properties of 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 110847836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).