N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C25H23N3O3 — CID 55593523

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O3/c1-3-27(17-18-13-15-20(31-2)16-14-18)25(30)23-21-11-7-8-12-22(21)24(29)28(26-23)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyZCRKVNBMVOYHEZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 55593523) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID55593523
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O3/c1-3-27(17-18-13-15-20(31-2)16-14-18)25(30)23-21-11-7-8-12-22(21)24(29)28(26-23)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyZCRKVNBMVOYHEZ-UHFFFAOYSA-N
XLogP4.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
CID 9098536
N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide
CID 51157073
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4229933
N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 25493006
[2-(diethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588325
5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 112817431
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26904232
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 6619574
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 55593523) is N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is ZCRKVNBMVOYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-27(17-18-13-15-20(31-2)16-14-18)25(30)23-21-11-7-8-12-22(21)24(29)28(26-23)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 55593523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).