N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide

C14H18N2O — CID 113363668

IUPACN-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC=CCN(CC)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O/c1-3-7-16(4-2)14(17)11-5-6-12-9-15-10-13(12)8-11/h3,5-6,8,15H,1,4,7,9-10H2,2H3
InChIKeyONSQUJGEOCTMAA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.94
Rot. Bonds4

About N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide

N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 113363668) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID113363668
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC=CCN(CC)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H18N2O/c1-3-7-16(4-2)14(17)11-5-6-12-9-15-10-13(12)8-11/h3,5-6,8,15H,1,4,7,9-10H2,2H3
InChIKeyONSQUJGEOCTMAA-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876
N-ethyl-2-oxo-N-prop-2-enyl-1H-pyridine-4-carboxamide
CID 103764844
N,N-bis(cyanomethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997742
N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
N-ethyl-N-prop-2-enyl-3H-benzimidazole-5-carboxamide
CID 78984706
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 113363668) is N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide is C=CCN(CC)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is ONSQUJGEOCTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-7-16(4-2)14(17)11-5-6-12-9-15-10-13(12)8-11/h3,5-6,8,15H,1,4,7,9-10H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 113363668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).