2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

C20H19N3O2 — CID 41288243

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-18(21-13-20(10-11-20)14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-9H,10-13H2,(H,21,24)(H,23,25)
InChIKeyDQRACPVDJPZLAH-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 41288243) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID41288243
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCC1(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-18(21-13-20(10-11-20)14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-9H,10-13H2,(H,21,24)(H,23,25)
InChIKeyDQRACPVDJPZLAH-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450
N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24574917
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46426761
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 41288243) is 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is DQRACPVDJPZLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18(21-13-20(10-11-20)14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-9H,10-13H2,(H,21,24)(H,23,25).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 41288243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).