N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride

C19H29ClN4O2 — CID 2854378

IUPACN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C(C)c1nn(CC)c(=O)c2ccccc12.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-22(6-2)13-12-20-18(24)14(4)17-15-10-8-9-11-16(15)19(25)23(7-3)21-17;/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,24);1H
InChIKeyRWHZRMVEGWVVDS-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride

N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride (PubChem CID 2854378) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride
PubChem CID2854378
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C(C)c1nn(CC)c(=O)c2ccccc12.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-22(6-2)13-12-20-18(24)14(4)17-15-10-8-9-11-16(15)19(25)23(7-3)21-17;/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,24);1H
InChIKeyRWHZRMVEGWVVDS-UHFFFAOYSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride (CID 2854378) is N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride is CCN(CC)CCNC(=O)C(C)c1nn(CC)c(=O)c2ccccc12.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride?
The InChIKey is RWHZRMVEGWVVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-5-22(6-2)13-12-20-18(24)14(4)17-15-10-8-9-11-16(15)19(25)23(7-3)21-17;/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,24);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride?
N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2854378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).