N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C17H22N2O2 — CID 3237987

IUPACN-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NC3CCCC3)c2C1=O
InChIInChI=1S/C17H22N2O2/c1-2-10-19-11-12-6-5-9-14(15(12)17(19)21)16(20)18-13-7-3-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyJMQBRBQGIKSKLG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 3237987) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID3237987
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NC3CCCC3)c2C1=O
InChIInChI=1S/C17H22N2O2/c1-2-10-19-11-12-6-5-9-14(15(12)17(19)21)16(20)18-13-7-3-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyJMQBRBQGIKSKLG-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 3237987) is N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)NC3CCCC3)c2C1=O.
What is the InChIKey of N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is JMQBRBQGIKSKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-10-19-11-12-6-5-9-14(15(12)17(19)21)16(20)18-13-7-3-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3237987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).