N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide

C17H22N2O — CID 171519243

IUPACN-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CC3)[nH]c2cc1C(C)C
InChIInChI=1S/C17H22N2O/c1-10(2)15-8-16-13(6-11(15)3)7-14(19-16)9-18-17(20)12-4-5-12/h6-8,10,12,19H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyJPJCAOYYGBSSLH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.63
Rot. Bonds4

About N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide

N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 171519243) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
PubChem CID171519243
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc2cc(CNC(=O)C3CC3)[nH]c2cc1C(C)C
InChIInChI=1S/C17H22N2O/c1-10(2)15-8-16-13(6-11(15)3)7-14(19-16)9-18-17(20)12-4-5-12/h6-8,10,12,19H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyJPJCAOYYGBSSLH-UHFFFAOYSA-N
XLogP3.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171731816
2-(hydroxymethyl)-2-methoxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]pentanamide
CID 171519011
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide
CID 171518549
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 171731958
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171518746
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
CID 171518961
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
CID 171519130

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide (CID 171519243) is N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide is Cc1cc2cc(CNC(=O)C3CC3)[nH]c2cc1C(C)C.
What is the InChIKey of N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is JPJCAOYYGBSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10(2)15-8-16-13(6-11(15)3)7-14(19-16)9-18-17(20)12-4-5-12/h6-8,10,12,19H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide?
N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171519243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).