N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

C22H23N3O3 — CID 662201

IUPACN-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1
InChIInChI=1S/C22H23N3O3/c26-20(23-15-17-9-6-14-28-17)12-13-25-22(27)19-11-5-4-10-18(19)21(24-25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,26)
InChIKeyBSIDWOSBIXXNBL-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.75
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (PubChem CID 662201) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
PubChem CID662201
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1
InChIInChI=1S/C22H23N3O3/c26-20(23-15-17-9-6-14-28-17)12-13-25-22(27)19-11-5-4-10-18(19)21(24-25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,26)
InChIKeyBSIDWOSBIXXNBL-UHFFFAOYSA-N
XLogP2.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
CID 752678
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-propylpropanamide
CID 1884678
N-(2-hydroxyethyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1957894
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239
Ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 697435
N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1297595
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 2937149
3-methyl-4-oxo-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 2957695
4-[[4-fluoro-3-(3-methoxypyrrolidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 153339051
N-(2-methoxyethyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1984226
N-(2-hydroxyethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 2881119

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (CID 662201) is N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The InChIKey is BSIDWOSBIXXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(23-15-17-9-6-14-28-17)12-13-25-22(27)19-11-5-4-10-18(19)21(24-25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,26).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is sourced from PubChem (CID 662201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).