3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide

C23H21N3O4 — CID 55889266

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C23H21N3O4/c27-21(12-14-26-23(29)19-10-4-3-9-18(19)22(28)25-26)24-13-15-30-20-11-5-7-16-6-1-2-8-17(16)20/h1-11H,12-15H2,(H,24,27)(H,25,28)
InChIKeyZKOJMDSPBSFPTO-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.43
Rot. Bonds7

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide (PubChem CID 55889266) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide
PubChem CID55889266
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C23H21N3O4/c27-21(12-14-26-23(29)19-10-4-3-9-18(19)22(28)25-26)24-13-15-30-20-11-5-7-16-6-1-2-8-17(16)20/h1-11H,12-15H2,(H,24,27)(H,25,28)
InChIKeyZKOJMDSPBSFPTO-UHFFFAOYSA-N
XLogP2.43
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 119406745
2-[2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119241592
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 32753667
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487509
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 119738759
N-benzhydryl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 27844708
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
N-[2-(1,4-dioxo-3H-phthalazin-2-yl)ethyl]-2-ethylsulfanylacetamide
CID 118775384
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide (CID 55889266) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCOc1cccc2ccccc12.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The InChIKey is ZKOJMDSPBSFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-21(12-14-26-23(29)19-10-4-3-9-18(19)22(28)25-26)24-13-15-30-20-11-5-7-16-6-1-2-8-17(16)20/h1-11H,12-15H2,(H,24,27)(H,25,28).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide has a molecular weight of 403.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-naphthalen-1-yloxyethyl)propanamide is sourced from PubChem (CID 55889266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).