N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide

C25H23N3O2 — CID 9098536

IUPACN,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-2-27(17-19-11-5-3-6-12-19)25(30)23-21-15-9-10-16-22(21)24(29)28(26-23)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyUJRXGFIUNUDRIP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.11
Rot. Bonds6

About N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide

N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 9098536) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID9098536
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-2-27(17-19-11-5-3-6-12-19)25(30)23-21-15-9-10-16-22(21)24(29)28(26-23)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyUJRXGFIUNUDRIP-UHFFFAOYSA-N
XLogP4.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide
CID 51158044
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
(2-ethoxyphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate
CID 55331857
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928
N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pentylphthalazine-1-carboxamide
CID 135932294
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 111596732
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
(4-propanoylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate
CID 7688808
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834

Frequently Asked Questions

What is the IUPAC name of N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide (CID 9098536) is N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide is CCN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is UJRXGFIUNUDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-27(17-19-11-5-3-6-12-19)25(30)23-21-15-9-10-16-22(21)24(29)28(26-23)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3.
What are the key properties of N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide?
N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9098536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).