5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride

C22H27ClN4O2 — CID 23449430

IUPAC5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
SMILESCCN(C)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-3-26(2)14-7-6-13-20(27)23-17-10-8-9-16(15-17)21-18-11-4-5-12-19(18)22(28)25-24-21;/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H,23,27)(H,25,28);1H
InChIKeyHVPODTKXIMMOGI-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.07
Rot. Bonds8

About 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride

5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride (PubChem CID 23449430) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
PubChem CID23449430
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
SMILESCCN(C)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-3-26(2)14-7-6-13-20(27)23-17-10-8-9-16(15-17)21-18-11-4-5-12-19(18)22(28)25-24-21;/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H,23,27)(H,25,28);1H
InChIKeyHVPODTKXIMMOGI-UHFFFAOYSA-N
XLogP4.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(2-methylpropyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449597
5-[2-methoxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449543
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
5-(tert-butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449435
4-cyano-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449518
5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449725
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536
5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
CID 23449499
5-[3-(methoxymethyl)piperidin-1-yl]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449738
5-(dimethylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]pentanamide;methanesulfonic acid
CID 87217734

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride (CID 23449430) is 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride is CCN(C)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.Cl.
What is the InChIKey of 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is HVPODTKXIMMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-3-26(2)14-7-6-13-20(27)23-17-10-8-9-16(15-17)21-18-11-4-5-12-19(18)22(28)25-24-21;/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H,23,27)(H,25,28);1H.
What are the key properties of 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride?
5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 23449430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).