N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C16H22N2O2 — CID 115606615

IUPACN-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOCC(C)(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10-11(2)17-14-7-6-12(8-13(10)14)15(19)18-16(3,4)9-20-5/h6-8,17H,9H2,1-5H3,(H,18,19)
InChIKeyAIYDNULDFDVSOT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.94
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 115606615) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID115606615
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOCC(C)(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H22N2O2/c1-10-11(2)17-14-7-6-12(8-13(10)14)15(19)18-16(3,4)9-20-5/h6-8,17H,9H2,1-5H3,(H,18,19)
InChIKeyAIYDNULDFDVSOT-UHFFFAOYSA-N
XLogP2.94
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
CID 82725792
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
methyl 2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-4-methylpentanoate
CID 42910188
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 122569893
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 115606615) is N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is COCC(C)(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is AIYDNULDFDVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-11(2)17-14-7-6-12(8-13(10)14)15(19)18-16(3,4)9-20-5/h6-8,17H,9H2,1-5H3,(H,18,19).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 115606615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).