N-tert-butyl-2-(phthalazin-1-ylamino)acetamide

C14H18N4O — CID 78911728

IUPACN-tert-butyl-2-(phthalazin-1-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNc1nncc2ccccc12
InChIInChI=1S/C14H18N4O/c1-14(2,3)17-12(19)9-15-13-11-7-5-4-6-10(11)8-16-18-13/h4-8H,9H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyBGOIKAPHXMZHFL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.96
Rot. Bonds3

About N-tert-butyl-2-(phthalazin-1-ylamino)acetamide

N-tert-butyl-2-(phthalazin-1-ylamino)acetamide (PubChem CID 78911728) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-tert-butyl-2-(phthalazin-1-ylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(phthalazin-1-ylamino)acetamide
PubChem CID78911728
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-tert-butyl-2-(phthalazin-1-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNc1nncc2ccccc12
InChIInChI=1S/C14H18N4O/c1-14(2,3)17-12(19)9-15-13-11-7-5-4-6-10(11)8-16-18-13/h4-8H,9H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyBGOIKAPHXMZHFL-UHFFFAOYSA-N
XLogP1.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phthalazin-1-ylamino)acetamide
CID 43395562
N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide
CID 115356830
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
2-(phthalazin-1-ylamino)ethanol
CID 2065587
2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
CID 43619317
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
3,3,3-trifluoro-2-methyl-2-(phthalazin-1-ylamino)propanoic acid
CID 79798204
2-methyl-1-methylsulfanyl-3-(phthalazin-1-ylamino)propan-2-ol
CID 106246184
N-tert-butyl-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747634
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
CID 107159159
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(phthalazin-1-ylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(phthalazin-1-ylamino)acetamide (CID 78911728) is N-tert-butyl-2-(phthalazin-1-ylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(phthalazin-1-ylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(phthalazin-1-ylamino)acetamide is CC(C)(C)NC(=O)CNc1nncc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(phthalazin-1-ylamino)acetamide?
The InChIKey is BGOIKAPHXMZHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)17-12(19)9-15-13-11-7-5-4-6-10(11)8-16-18-13/h4-8H,9H2,1-3H3,(H,15,18)(H,17,19).
What are the key properties of N-tert-butyl-2-(phthalazin-1-ylamino)acetamide?
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(phthalazin-1-ylamino)acetamide is sourced from PubChem (CID 78911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).