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

C16H24N2O2 — CID 103998510

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O2/c1-12(2)11-18(6-7-20-3)16(19)13-4-5-14-9-17-10-15(14)8-13/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyRTPXRAOPBNHGON-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds6

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

N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998510) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998510
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O2/c1-12(2)11-18(6-7-20-3)16(19)13-4-5-14-9-17-10-15(14)8-13/h4-5,8,12,17H,6-7,9-11H2,1-3H3
InChIKeyRTPXRAOPBNHGON-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998591
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998556
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
CID 134059038
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 32953929
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 134062483
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998510) is N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is COCCN(CC(C)C)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is RTPXRAOPBNHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)11-18(6-7-20-3)16(19)13-4-5-14-9-17-10-15(14)8-13/h4-5,8,12,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).