N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide

C18H18N4O2 — CID 656150

IUPACN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyOBCYUADYGHLOJJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.40
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide

N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 656150) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID656150
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyOBCYUADYGHLOJJ-UHFFFAOYSA-N
XLogP2.40
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide (CID 656150) is N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide is Cc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is OBCYUADYGHLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).