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

C16H24N2O3 — CID 103998591

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O3/c1-20-8-3-6-18(7-9-21-2)16(19)13-4-5-14-11-17-12-15(14)10-13/h4-5,10,17H,3,6-9,11-12H2,1-2H3
InChIKeyXMNNOQSZPZNJOM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.41
Rot. Bonds8

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

N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998591) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998591
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOCCCN(CCOC)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H24N2O3/c1-20-8-3-6-18(7-9-21-2)16(19)13-4-5-14-11-17-12-15(14)10-13/h4-5,10,17H,3,6-9,11-12H2,1-2H3
InChIKeyXMNNOQSZPZNJOM-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 87031354
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
N,N-bis(cyanomethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997742

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998591) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is COCCCN(CCOC)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is XMNNOQSZPZNJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-8-3-6-18(7-9-21-2)16(19)13-4-5-14-11-17-12-15(14)10-13/h4-5,10,17H,3,6-9,11-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).