N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide

C22H31N3O2 — CID 90490148

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H31N3O2/c1-3-9-16(10-4-2)21(26)23-15-20-18-13-7-8-14-19(18)22(27)25(24-20)17-11-5-6-12-17/h7-8,13-14,16-17H,3-6,9-12,15H2,1-2H3,(H,23,26)
InChIKeyFMKUCUNUEJFMEZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.34
Rot. Bonds8

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide (PubChem CID 90490148) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
PubChem CID90490148
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H31N3O2/c1-3-9-16(10-4-2)21(26)23-15-20-18-13-7-8-14-19(18)22(27)25(24-20)17-11-5-6-12-17/h7-8,13-14,16-17H,3-6,9-12,15H2,1-2H3,(H,23,26)
InChIKeyFMKUCUNUEJFMEZ-UHFFFAOYSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide (CID 90490148) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide?
The InChIKey is FMKUCUNUEJFMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-9-16(10-4-2)21(26)23-15-20-18-13-7-8-14-19(18)22(27)25(24-20)17-11-5-6-12-17/h7-8,13-14,16-17H,3-6,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide has a molecular weight of 369.51 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 90490148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).