N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide

C15H19N3O2 — CID 62201020

IUPACN-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCCCC(C)NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-4-7-10(2)16-15(20)13-11-8-5-6-9-12(11)14(19)18-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRVXYUEKSWUSTOU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds5

About N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide

N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 62201020) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID62201020
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCCCC(C)NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-4-7-10(2)16-15(20)13-11-8-5-6-9-12(11)14(19)18-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyRVXYUEKSWUSTOU-UHFFFAOYSA-N
XLogP2.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
CID 91774680
methyl (2S,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269604
methyl (2R,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269609
N-[1-(methylamino)-1-oxopropan-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 47342650
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
(2R)-4-hydroxy-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid
CID 107822736

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide (CID 62201020) is N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide is CCCCC(C)NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is RVXYUEKSWUSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-7-10(2)16-15(20)13-11-8-5-6-9-12(11)14(19)18-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide?
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 62201020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).