1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea

C19H28N4O2 — CID 99823287

IUPAC1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H28N4O2/c1-13(2)19(4,5)12-20-18(25)22-14(3)11-23-17(24)16-9-7-6-8-15(16)10-21-23/h6-10,13-14H,11-12H2,1-5H3,(H2,20,22,25)/t14-/m0/s1
InChIKeyOYMREWDMKGZXSY-AWEZNQCLSA-N
MW344.46 g/mol
LogP2.77
Rot. Bonds6

About 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea

1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea (PubChem CID 99823287) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
PubChem CID99823287
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H28N4O2/c1-13(2)19(4,5)12-20-18(25)22-14(3)11-23-17(24)16-9-7-6-8-15(16)10-21-23/h6-10,13-14H,11-12H2,1-5H3,(H2,20,22,25)/t14-/m0/s1
InChIKeyOYMREWDMKGZXSY-AWEZNQCLSA-N
XLogP2.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The IUPAC name of 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea (CID 99823287) is 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea.
What is the SMILES notation for 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The canonical SMILES for 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea is CC(C)C(C)(C)CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The InChIKey is OYMREWDMKGZXSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)19(4,5)12-20-18(25)22-14(3)11-23-17(24)16-9-7-6-8-15(16)10-21-23/h6-10,13-14H,11-12H2,1-5H3,(H2,20,22,25)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea has a molecular weight of 344.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(1-oxophthalazin-2-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea is sourced from PubChem (CID 99823287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).