N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide

C25H28N2O3 — CID 15986416

IUPACN-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(C1(CO)CCCC1)C2=O
InChIInChI=1S/C25H28N2O3/c1-16-4-5-18(23(29)26-20-7-8-20)13-22(16)17-6-9-21-19(12-17)14-27(24(21)30)25(15-28)10-2-3-11-25/h4-6,9,12-13,20,28H,2-3,7-8,10-11,14-15H2,1H3,(H,26,29)
InChIKeyQBJTXXHUGXFYEE-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.82
Rot. Bonds5

About N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide

N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide (PubChem CID 15986416) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
PubChem CID15986416
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(C1(CO)CCCC1)C2=O
InChIInChI=1S/C25H28N2O3/c1-16-4-5-18(23(29)26-20-7-8-20)13-22(16)17-6-9-21-19(12-17)14-27(24(21)30)25(15-28)10-2-3-11-25/h4-6,9,12-13,20,28H,2-3,7-8,10-11,14-15H2,1H3,(H,26,29)
InChIKeyQBJTXXHUGXFYEE-UHFFFAOYSA-N
XLogP3.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide (CID 15986416) is N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)CN(C1(CO)CCCC1)C2=O.
What is the InChIKey of N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
The InChIKey is QBJTXXHUGXFYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16-4-5-18(23(29)26-20-7-8-20)13-22(16)17-6-9-21-19(12-17)14-27(24(21)30)25(15-28)10-2-3-11-25/h4-6,9,12-13,20,28H,2-3,7-8,10-11,14-15H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[1-(hydroxymethyl)cyclopentyl]-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 15986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).