N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

C19H23N3O2 — CID 131907820

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-13(18(23)20-12-11-14-7-3-2-4-8-14)17-15-9-5-6-10-16(15)19(24)22-21-17/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZIVYCHGAIZEUTF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 131907820) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID131907820
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-13(18(23)20-12-11-14-7-3-2-4-8-14)17-15-9-5-6-10-16(15)19(24)22-21-17/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZIVYCHGAIZEUTF-UHFFFAOYSA-N
XLogP3.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789738
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785139
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
(2S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99955784
(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 131907820) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is CC(C(=O)NCCC1=CCCCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is ZIVYCHGAIZEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(18(23)20-12-11-14-7-3-2-4-8-14)17-15-9-5-6-10-16(15)19(24)22-21-17/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 131907820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).