N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C16H22N2O — CID 107418395

IUPACN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H22N2O/c1-11-3-2-4-13(11)10-18-16(19)12-5-6-14-8-17-9-15(14)7-12/h5-7,11,13,17H,2-4,8-10H2,1H3,(H,18,19)
InChIKeyFPOFPBXZNPNPMW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds3

About N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 107418395) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID107418395
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H22N2O/c1-11-3-2-4-13(11)10-18-16(19)12-5-6-14-8-17-9-15(14)7-12/h5-7,11,13,17H,2-4,8-10H2,1H3,(H,18,19)
InChIKeyFPOFPBXZNPNPMW-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
N-[(2-methylcyclopentyl)methyl]-1H-indazole-6-carboxamide
CID 107420262
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 107418395) is N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CC1CCCC1CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is FPOFPBXZNPNPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-3-2-4-13(11)10-18-16(19)12-5-6-14-8-17-9-15(14)7-12/h5-7,11,13,17H,2-4,8-10H2,1H3,(H,18,19).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 107418395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).