N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C20H28N2O — CID 171519678

IUPACN-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC(C)c1cc2cc(CNC(=O)C3(C)CC3)[nH]c2cc1C(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)16-9-14-8-15(11-21-19(23)20(5)6-7-20)22-18(14)10-17(16)13(3)4/h8-10,12-13,22H,6-7,11H2,1-5H3,(H,21,23)
InChIKeyLHVNVNKMKMMFMU-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.83
Rot. Bonds5

About N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171519678) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171519678
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC(C)c1cc2cc(CNC(=O)C3(C)CC3)[nH]c2cc1C(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)16-9-14-8-15(11-21-19(23)20(5)6-7-20)22-18(14)10-17(16)13(3)4/h8-10,12-13,22H,6-7,11H2,1-5H3,(H,21,23)
InChIKeyLHVNVNKMKMMFMU-UHFFFAOYSA-N
XLogP4.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171731918
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide
CID 171518254
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
CID 171519243
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518864
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789
N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171518744
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675

Frequently Asked Questions

What is the IUPAC name of N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171519678) is N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC(C)c1cc2cc(CNC(=O)C3(C)CC3)[nH]c2cc1C(C)C.
What is the InChIKey of N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LHVNVNKMKMMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-12(2)16-9-14-8-15(11-21-19(23)20(5)6-7-20)22-18(14)10-17(16)13(3)4/h8-10,12-13,22H,6-7,11H2,1-5H3,(H,21,23).
What are the key properties of N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171519678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).