4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide

C20H22N4O2 — CID 23449483

IUPAC4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C20H22N4O2/c1-24(2)12-6-11-18(25)21-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)20(26)23-22-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyFAZKECLHQJTTMM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.87
Rot. Bonds6

About 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide

4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide (PubChem CID 23449483) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
PubChem CID23449483
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C20H22N4O2/c1-24(2)12-6-11-18(25)21-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)20(26)23-22-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyFAZKECLHQJTTMM-UHFFFAOYSA-N
XLogP2.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449430
5-[methyl(2-methylpropyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449597
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-[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
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]-5-thiomorpholin-4-ylpentanamide
CID 23449742
5-(dimethylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]pentanamide;methanesulfonic acid
CID 87217734
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536
5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
CID 23449499
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide (CID 23449483) is 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide is CN(C)CCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide?
The InChIKey is FAZKECLHQJTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(2)12-6-11-18(25)21-15-8-5-7-14(13-15)19-16-9-3-4-10-17(16)20(26)23-22-19/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide?
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 23449483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).