N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C17H24N4O3 — CID 30594377

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCC(C)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)N(C)C
InChIInChI=1S/C17H24N4O3/c1-11(2)14(20(3)4)9-18-15(22)10-21-17(24)13-8-6-5-7-12(13)16(23)19-21/h5-8,11,14H,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyQDBDDVNZASQMTM-CQSZACIVSA-N
MW332.40 g/mol
LogP0.39
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 30594377) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID30594377
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCC(C)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)N(C)C
InChIInChI=1S/C17H24N4O3/c1-11(2)14(20(3)4)9-18-15(22)10-21-17(24)13-8-6-5-7-12(13)16(23)19-21/h5-8,11,14H,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyQDBDDVNZASQMTM-CQSZACIVSA-N
XLogP0.39
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 41312473
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 27712493
N-[4-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 37273272
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38656580
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 17437467
N-(3-butoxypropyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 27682645
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619238
2-(benzotriazol-2-yl)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]acetamide
CID 125435937
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2078312
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 30591769
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 9417067

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 30594377) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is CC(C)[C@@H](CNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is QDBDDVNZASQMTM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)14(20(3)4)9-18-15(22)10-21-17(24)13-8-6-5-7-12(13)16(23)19-21/h5-8,11,14H,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 30594377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).