5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide

C16H22N2O2 — CID 91757486

IUPAC5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)N(C(C)C)C(C)C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)18(11(3)4)16(19)14-9-17-15-7-6-12(20-5)8-13(14)15/h6-11,17H,1-5H3
InChIKeyXXNNWFOLWALKNT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.44
Rot. Bonds4

About 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide

5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide (PubChem CID 91757486) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
PubChem CID91757486
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)N(C(C)C)C(C)C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10(2)18(11(3)4)16(19)14-9-17-15-7-6-12(20-5)8-13(14)15/h6-11,17H,1-5H3
InChIKeyXXNNWFOLWALKNT-UHFFFAOYSA-N
XLogP3.44
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide (CID 91757486) is 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)N(C(C)C)C(C)C)c2c1.
What is the InChIKey of 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is XXNNWFOLWALKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)18(11(3)4)16(19)14-9-17-15-7-6-12(20-5)8-13(14)15/h6-11,17H,1-5H3.
What are the key properties of 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide?
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 91757486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).