N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide

C21H24N4O2 — CID 120886672

IUPACN-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCn1nc(CC(=O)N(CCN)CCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-24-21(27)18-10-6-5-9-17(18)19(23-24)15-20(26)25(14-12-22)13-11-16-7-3-2-4-8-16/h2-10H,11-15,22H2,1H3
InChIKeyUNGUJTQMOUWQFD-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.51
Rot. Bonds7

About N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 120886672) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID120886672
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCn1nc(CC(=O)N(CCN)CCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-24-21(27)18-10-6-5-9-17(18)19(23-24)15-20(26)25(14-12-22)13-11-16-7-3-2-4-8-16/h2-10H,11-15,22H2,1H3
InChIKeyUNGUJTQMOUWQFD-UHFFFAOYSA-N
XLogP1.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide
CID 120885294
N-(2-aminoethyl)-2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 120885988
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
CID 167771862
N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 47113059
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207580
N-(2-aminoethyl)-1-methyl-4-oxo-N-(2-phenylethyl)cinnoline-3-carboxamide;hydrochloride
CID 120884289
N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
CID 120884670
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide (CID 120886672) is N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide is Cn1nc(CC(=O)N(CCN)CCc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is UNGUJTQMOUWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-21(27)18-10-6-5-9-17(18)19(23-24)15-20(26)25(14-12-22)13-11-16-7-3-2-4-8-16/h2-10H,11-15,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120886672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).