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

C19H26N2O3 — CID 5307515

IUPACN-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O
InChIInChI=1S/C19H26N2O3/c1-2-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-3-4-6-8-14/h9-10,12,14,18,23H,2-8,11H2,1H3,(H,20,22)
InChIKeyLTLRHXMASFZIIK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.00
Rot. Bonds4

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

N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (PubChem CID 5307515) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
PubChem CID5307515
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O
InChIInChI=1S/C19H26N2O3/c1-2-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-3-4-6-8-14/h9-10,12,14,18,23H,2-8,11H2,1H3,(H,20,22)
InChIKeyLTLRHXMASFZIIK-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide (CID 5307515) is N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is CCCN1C(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C1O.
What is the InChIKey of N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The InChIKey is LTLRHXMASFZIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-3-4-6-8-14/h9-10,12,14,18,23H,2-8,11H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide is sourced from PubChem (CID 5307515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).