N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

C14H16N4O3 — CID 43397900

IUPACN-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H16N4O3/c1-8(2)18(7-11(15)19)14(21)12-9-5-3-4-6-10(9)13(20)17-16-12/h3-6,8H,7H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyLAPRVZGIKFKFNN-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.26
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (PubChem CID 43397900) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
PubChem CID43397900
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H16N4O3/c1-8(2)18(7-11(15)19)14(21)12-9-5-3-4-6-10(9)13(20)17-16-12/h3-6,8H,7H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyLAPRVZGIKFKFNN-UHFFFAOYSA-N
XLogP0.26
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 61067037
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 52671402
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
CID 27848904
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide
CID 106936708
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 107261147
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (CID 43397900) is N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is CC(C)N(CC(N)=O)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The InChIKey is LAPRVZGIKFKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8(2)18(7-11(15)19)14(21)12-9-5-3-4-6-10(9)13(20)17-16-12/h3-6,8H,7H2,1-2H3,(H2,15,19)(H,17,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 43397900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).