N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide

C19H19N3O3 — CID 142008536

IUPACN-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-2-10-25-12-17(23)20-14-7-5-6-13(11-14)18-15-8-3-4-9-16(15)19(24)22-21-18/h3-9,11H,2,10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyTURBZSRSUBLECK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.96
Rot. Bonds6

About N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide

N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide (PubChem CID 142008536) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
PubChem CID142008536
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-2-10-25-12-17(23)20-14-7-5-6-13(11-14)18-15-8-3-4-9-16(15)19(24)22-21-18/h3-9,11H,2,10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyTURBZSRSUBLECK-UHFFFAOYSA-N
XLogP2.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
tert-butyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamate
CID 157040003
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
4-cyano-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449518
5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449430
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590
5-[2-methoxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449543
5-(tert-butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449435
2-(2-chloroethoxy)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 66965532
5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449725
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butane-1-sulfonamide
CID 23449679
5-[methyl(2-methylpropyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449597

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide?
The IUPAC name of N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide (CID 142008536) is N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide?
The InChIKey is TURBZSRSUBLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-10-25-12-17(23)20-14-7-5-6-13(11-14)18-15-8-3-4-9-16(15)19(24)22-21-18/h3-9,11H,2,10,12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide?
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide is sourced from PubChem (CID 142008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).