N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide

C22H25N3O2 — CID 51158044

IUPACN-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-4-14-24(15-17-10-6-5-7-11-17)22(27)20-18-12-8-9-13-19(18)21(26)25(23-20)16(2)3/h5-13,16H,4,14-15H2,1-3H3
InChIKeyRNKJEPHAVXRTKL-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide

N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide (PubChem CID 51158044) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide
PubChem CID51158044
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-4-14-24(15-17-10-6-5-7-11-17)22(27)20-18-12-8-9-13-19(18)21(26)25(23-20)16(2)3/h5-13,16H,4,14-15H2,1-3H3
InChIKeyRNKJEPHAVXRTKL-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-N-propylphthalazine-1-carboxamide
CID 18192751
N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
CID 9098536
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55429046
4-oxo-3-propan-2-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 51189856
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111662281
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide?
The IUPAC name of N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide (CID 51158044) is N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide is CCCN(Cc1ccccc1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide?
The InChIKey is RNKJEPHAVXRTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-14-24(15-17-10-6-5-7-11-17)22(27)20-18-12-8-9-13-19(18)21(26)25(23-20)16(2)3/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide?
N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-3-propan-2-yl-N-propylphthalazine-1-carboxamide is sourced from PubChem (CID 51158044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).