N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide

C17H22N2O3 — CID 5309505

IUPACN-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O
InChIInChI=1S/C17H22N2O3/c1-2-9-19-16(21)13-8-7-11(10-14(13)17(19)22)15(20)18-12-5-3-4-6-12/h7-8,10,12,16,21H,2-6,9H2,1H3,(H,18,20)
InChIKeyVKAJUJYHFVBSRA-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.22
Rot. Bonds4

About N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide

N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (PubChem CID 5309505) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
PubChem CID5309505
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O
InChIInChI=1S/C17H22N2O3/c1-2-9-19-16(21)13-8-7-11(10-14(13)17(19)22)15(20)18-12-5-3-4-6-12/h7-8,10,12,16,21H,2-6,9H2,1H3,(H,18,20)
InChIKeyVKAJUJYHFVBSRA-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (CID 5309505) is N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is CCCN1C(=O)c2cc(C(=O)NC3CCCC3)ccc2C1O.
What is the InChIKey of N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The InChIKey is VKAJUJYHFVBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-9-19-16(21)13-8-7-11(10-14(13)17(19)22)15(20)18-12-5-3-4-6-12/h7-8,10,12,16,21H,2-6,9H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is sourced from PubChem (CID 5309505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).