2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide

C20H24N4O2 — CID 10236998

IUPAC2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
SMILESO=C(CNC1CCC1)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c25-18(12-21-14-6-4-7-14)22-15-8-3-5-13(11-15)19-16-9-1-2-10-17(16)20(26)24-23-19/h3,5,8,11,14,21H,1-2,4,6-7,9-10,12H2,(H,22,25)(H,24,26)
InChIKeyKUBSNPBEMIMVPT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.40
Rot. Bonds5

About 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide

2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide (PubChem CID 10236998) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
PubChem CID10236998
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
SMILESO=C(CNC1CCC1)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1
InChIInChI=1S/C20H24N4O2/c25-18(12-21-14-6-4-7-14)22-15-8-3-5-13(11-15)19-16-9-1-2-10-17(16)20(26)24-23-19/h3,5,8,11,14,21H,1-2,4,6-7,9-10,12H2,(H,22,25)(H,24,26)
InChIKeyKUBSNPBEMIMVPT-UHFFFAOYSA-N
XLogP2.40
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 10214778
4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide
CID 10193372
2-(2-chloroethoxy)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 66965532
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-6-pyrrolidin-1-ylhexanamide
CID 10150883
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535
methanesulfonic acid;5-(methylamino)-N-[3-(4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyridazin-1-yl)phenyl]pentanamide
CID 87217859
5-(dimethylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]pentanamide;methanesulfonic acid
CID 87217734
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide;hydrochloride
CID 87217834
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide (CID 10236998) is 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide is O=C(CNC1CCC1)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1.
What is the InChIKey of 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide?
The InChIKey is KUBSNPBEMIMVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(12-21-14-6-4-7-14)22-15-8-3-5-13(11-15)19-16-9-1-2-10-17(16)20(26)24-23-19/h3,5,8,11,14,21H,1-2,4,6-7,9-10,12H2,(H,22,25)(H,24,26).
What are the key properties of 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide?
2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 10236998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).