4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide

C25H31N3O3 — CID 55483560

IUPAC4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCOC(C)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C25H31N3O3/c1-3-4-10-17-28-25(30)22-15-9-8-14-21(22)23(27-28)24(29)26-16-11-18-31-19(2)20-12-6-5-7-13-20/h5-9,12-15,19H,3-4,10-11,16-18H2,1-2H3,(H,26,29)
InChIKeyWFLRSSXAXPXOPH-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.48
Rot. Bonds11

About 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide

4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide (PubChem CID 55483560) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
PubChem CID55483560
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)NCCCOC(C)c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C25H31N3O3/c1-3-4-10-17-28-25(30)22-15-9-8-14-21(22)23(27-28)24(29)26-16-11-18-31-19(2)20-12-6-5-7-13-20/h5-9,12-15,19H,3-4,10-11,16-18H2,1-2H3,(H,26,29)
InChIKeyWFLRSSXAXPXOPH-UHFFFAOYSA-N
XLogP4.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoic acid
CID 119349081
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
benzyl 2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]acetate
CID 55350443
N-(1-amino-4-methylpentan-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119585481
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
1-butyl-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea
CID 8767000
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46473758

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide (CID 55483560) is 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide is CCCCCn1nc(C(=O)NCCCOC(C)c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide?
The InChIKey is WFLRSSXAXPXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-3-4-10-17-28-25(30)22-15-9-8-14-21(22)23(27-28)24(29)26-16-11-18-31-19(2)20-12-6-5-7-13-20/h5-9,12-15,19H,3-4,10-11,16-18H2,1-2H3,(H,26,29).
What are the key properties of 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide?
4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pentyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide is sourced from PubChem (CID 55483560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).