N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C19H27N3O3 — CID 111662281

IUPACN-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCCCC(CCO)CNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-4-7-14(10-11-23)12-20-18(24)17-15-8-5-6-9-16(15)19(25)22(21-17)13(2)3/h5-6,8-9,13-14,23H,4,7,10-12H2,1-3H3,(H,20,24)
InChIKeyWWEMFIOVAISSTF-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 111662281) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID111662281
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCCCC(CCO)CNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-4-7-14(10-11-23)12-20-18(24)17-15-8-5-6-9-16(15)19(25)22(21-17)13(2)3/h5-6,8-9,13-14,23H,4,7,10-12H2,1-3H3,(H,20,24)
InChIKeyWWEMFIOVAISSTF-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111461070
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86980964
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46461819
4-oxo-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide
CID 46551291
N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78811230
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 111662281) is N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CCCC(CCO)CNC(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is WWEMFIOVAISSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-7-14(10-11-23)12-20-18(24)17-15-8-5-6-9-16(15)19(25)22(21-17)13(2)3/h5-6,8-9,13-14,23H,4,7,10-12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 111662281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).