N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide

C19H25N3O3 — CID 24632559

IUPACN-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-2-21(14-8-4-3-5-9-14)17(23)12-13-22-19(25)16-11-7-6-10-15(16)18(24)20-22/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,24)
InChIKeyXSBDTNYLSFRNFK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.26
Rot. Bonds5

About N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide

N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide (PubChem CID 24632559) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
PubChem CID24632559
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H25N3O3/c1-2-21(14-8-4-3-5-9-14)17(23)12-13-22-19(25)16-11-7-6-10-15(16)18(24)20-22/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,24)
InChIKeyXSBDTNYLSFRNFK-UHFFFAOYSA-N
XLogP2.26
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 40716364
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
CID 32747148
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-(2-methylsulfanylethyl)propanamide
CID 166239918
N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide
CID 55379554
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methylpropanamide
CID 95132698
N-butyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)propanamide
CID 78855628
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
CID 119955260
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide?
The IUPAC name of N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide (CID 24632559) is N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide is CCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide?
The InChIKey is XSBDTNYLSFRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-21(14-8-4-3-5-9-14)17(23)12-13-22-19(25)16-11-7-6-10-15(16)18(24)20-22/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,24).
What are the key properties of N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide?
N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide has a molecular weight of 343.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 24632559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).