N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide

C16H20N4O3 — CID 8853304

IUPACN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O3/c1-3-8-17-14(21)10-20(2)15(22)9-13-11-6-4-5-7-12(11)16(23)19-18-13/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,19,23)
InChIKeyPZUNORSGFJIHLR-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.45
Rot. Bonds6

About N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide

N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 8853304) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID8853304
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H20N4O3/c1-3-8-17-14(21)10-20(2)15(22)9-13-11-6-4-5-7-12(11)16(23)19-18-13/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,19,23)
InChIKeyPZUNORSGFJIHLR-UHFFFAOYSA-N
XLogP0.45
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758
N-(4-chlorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 166201763
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 8853304) is N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is PZUNORSGFJIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-8-17-14(21)10-20(2)15(22)9-13-11-6-4-5-7-12(11)16(23)19-18-13/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,19,23).
What are the key properties of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 8853304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).