N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H22N2O3 — CID 3239503

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O3/c1-13(17(22)20-12-11-14-7-3-2-4-8-14)21-18(23)15-9-5-6-10-16(15)19(21)24/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,22)
InChIKeyGFCZFUKLFGZZKP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3239503) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3239503
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O3/c1-13(17(22)20-12-11-14-7-3-2-4-8-14)21-18(23)15-9-5-6-10-16(15)19(21)24/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,22)
InChIKeyGFCZFUKLFGZZKP-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Nvp-dky709
CID 137519326
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
(R)-Thalidomide
CID 75792
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 3239503) is N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NCCC1=CCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GFCZFUKLFGZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(17(22)20-12-11-14-7-3-2-4-8-14)21-18(23)15-9-5-6-10-16(15)19(21)24/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3239503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).