N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide

C22H19N3O3 — CID 90489974

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCn1nc(CNC(=O)COc2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O3/c1-25-22(27)19-9-5-4-8-18(19)20(24-25)13-23-21(26)14-28-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyQHCWHHLETKSOPN-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.78
Rot. Bonds5

About N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 90489974) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID90489974
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCn1nc(CNC(=O)COc2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O3/c1-25-22(27)19-9-5-4-8-18(19)20(24-25)13-23-21(26)14-28-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyQHCWHHLETKSOPN-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
CID 71779476
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 18167335
2-(4-ethoxyphenoxy)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]acetamide
CID 90490491
naphthalen-2-yl 3-methyl-4-oxophthalazine-1-carboxylate
CID 2634017

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide (CID 90489974) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide is Cn1nc(CNC(=O)COc2ccc3ccccc3c2)c2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is QHCWHHLETKSOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-25-22(27)19-9-5-4-8-18(19)20(24-25)13-23-21(26)14-28-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 373.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 90489974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).