N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide

C19H26N4O2 — CID 119619251

IUPACN-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCNC1CCCCCC1
InChIInChI=1S/C19H26N4O2/c24-18(21-12-11-20-16-8-3-1-2-4-9-16)14-23-19(25)17-10-6-5-7-15(17)13-22-23/h5-7,10,13,16,20H,1-4,8-9,11-12,14H2,(H,21,24)
InChIKeySWDJXPZZDPSGSN-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 119619251) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID119619251
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCNC1CCCCCC1
InChIInChI=1S/C19H26N4O2/c24-18(21-12-11-20-16-8-3-1-2-4-9-16)14-23-19(25)17-10-6-5-7-15(17)13-22-23/h5-7,10,13,16,20H,1-4,8-9,11-12,14H2,(H,21,24)
InChIKeySWDJXPZZDPSGSN-UHFFFAOYSA-N
XLogP1.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 119619251) is N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is SWDJXPZZDPSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(21-12-11-20-16-8-3-1-2-4-9-16)14-23-19(25)17-10-6-5-7-15(17)13-22-23/h5-7,10,13,16,20H,1-4,8-9,11-12,14H2,(H,21,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 119619251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).