N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C16H26N4O2 — CID 66965538

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCC(C)N(C)CCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-11(2)20(3)9-8-17-15(21)10-14-12-6-4-5-7-13(12)16(22)19-18-14/h11H,4-10H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyJLPFYLVQTFNXDX-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.65
Rot. Bonds6

About N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66965538) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66965538
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCC(C)N(C)CCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-11(2)20(3)9-8-17-15(21)10-14-12-6-4-5-7-13(12)16(22)19-18-14/h11H,4-10H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyJLPFYLVQTFNXDX-UHFFFAOYSA-N
XLogP0.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66965538) is N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CC(C)N(C)CCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is JLPFYLVQTFNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)20(3)9-8-17-15(21)10-14-12-6-4-5-7-13(12)16(22)19-18-14/h11H,4-10H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66965538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).