N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C15H22N2O — CID 113363545

IUPACN-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O/c1-4-17(10-11(2)3)15(18)12-5-6-13-8-16-9-14(13)7-12/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyYVUVGIQIGQCAPK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 113363545) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID113363545
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O/c1-4-17(10-11(2)3)15(18)12-5-6-13-8-16-9-14(13)7-12/h5-7,11,16H,4,8-10H2,1-3H3
InChIKeyYVUVGIQIGQCAPK-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998556
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363668
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N,N-bis(cyanomethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997742
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 113363545) is N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is YVUVGIQIGQCAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17(10-11(2)3)15(18)12-5-6-13-8-16-9-14(13)7-12/h5-7,11,16H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 113363545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).