N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

C16H22N2O — CID 80566287

IUPACN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c1-18(11-12-6-2-3-7-12)16(19)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10-11H2,1H3
InChIKeyRQNKFPYPIVBCNB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.84
Rot. Bonds3

About N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566287) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566287
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c1-18(11-12-6-2-3-7-12)16(19)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10-11H2,1H3
InChIKeyRQNKFPYPIVBCNB-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566431
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177
N-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566327
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356068
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564207
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565387
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
N-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565285
N-cyclohexyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564783
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80566287) is N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is CN(CC1CCCC1)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is RQNKFPYPIVBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(11-12-6-2-3-7-12)16(19)14-10-17-15-9-5-4-8-13(14)15/h4-5,8-9,12,14,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).