N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

C17H21N3O3 — CID 109399939

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-19(10-13-6-4-8-15(13)21)16(22)11-20-17(23)14-7-3-2-5-12(14)9-18-20/h2-3,5,7,9,13,15,21H,4,6,8,10-11H2,1H3
InChIKeyPMQRXNOPZPAFHW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.02
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 109399939) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID109399939
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-19(10-13-6-4-8-15(13)21)16(22)11-20-17(23)14-7-3-2-5-12(14)9-18-20/h2-3,5,7,9,13,15,21H,4,6,8,10-11H2,1H3
InChIKeyPMQRXNOPZPAFHW-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (CID 109399939) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is CN(CC1CCCC1O)C(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is PMQRXNOPZPAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19(10-13-6-4-8-15(13)21)16(22)11-20-17(23)14-7-3-2-5-12(14)9-18-20/h2-3,5,7,9,13,15,21H,4,6,8,10-11H2,1H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 109399939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).