N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

C14H17N3O2 — CID 9369028

IUPACN-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-17-14(19)12-7-5-4-6-11(12)8-15-17/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyKBKSTPKHTKOJCQ-JTQLQIEISA-N
MW259.31 g/mol
LogP1.31
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 9369028) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID9369028
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-17-14(19)12-7-5-4-6-11(12)8-15-17/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyKBKSTPKHTKOJCQ-JTQLQIEISA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 70746163
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 97131820
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574790
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
CID 60602382
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 93242311
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 52606481
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 9369028) is N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is CC[C@H](C)NC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is KBKSTPKHTKOJCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-17-14(19)12-7-5-4-6-11(12)8-15-17/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 9369028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).