N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide

C16H22N2O — CID 55026359

IUPACN-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)10-18(12(3)4)16(19)15-9-13-7-5-6-8-14(13)17-15/h5-9,11-12,17H,10H2,1-4H3
InChIKeyJXIIDLIAAFZQOY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.67
Rot. Bonds4

About N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide

N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 55026359) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID55026359
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)10-18(12(3)4)16(19)15-9-13-7-5-6-8-14(13)17-15/h5-9,11-12,17H,10H2,1-4H3
InChIKeyJXIIDLIAAFZQOY-UHFFFAOYSA-N
XLogP3.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 113207051
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 61040144
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide (CID 55026359) is N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide is CC(C)CN(C(=O)c1cc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is JXIIDLIAAFZQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)10-18(12(3)4)16(19)15-9-13-7-5-6-8-14(13)17-15/h5-9,11-12,17H,10H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide?
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 55026359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).