N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C15H17N3O3 — CID 38656580

IUPACN-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1CCC1
InChIInChI=1S/C15H17N3O3/c19-13(16-8-10-4-3-5-10)9-18-15(21)12-7-2-1-6-11(12)14(20)17-18/h1-2,6-7,10H,3-5,8-9H2,(H,16,19)(H,17,20)
InChIKeyVXDJQYJLNNLPEI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.61
Rot. Bonds4

About N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 38656580) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID38656580
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1CCC1
InChIInChI=1S/C15H17N3O3/c19-13(16-8-10-4-3-5-10)9-18-15(21)12-7-2-1-6-11(12)14(20)17-18/h1-2,6-7,10H,3-5,8-9H2,(H,16,19)(H,17,20)
InChIKeyVXDJQYJLNNLPEI-UHFFFAOYSA-N
XLogP0.61
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462022
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2450411
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
N-(3-butoxypropyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 27682645
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 39249673
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30594377
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 91643960
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30470832
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 27712493
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
CID 16614267
N-[4-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 37273272

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 38656580) is N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is VXDJQYJLNNLPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(16-8-10-4-3-5-10)9-18-15(21)12-7-2-1-6-11(12)14(20)17-18/h1-2,6-7,10H,3-5,8-9H2,(H,16,19)(H,17,20).
What are the key properties of N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 38656580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).