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

C19H22N2O3 — CID 3235611

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22N2O3/c22-17(20-12-10-14-6-2-1-3-7-14)11-13-21-18(23)15-8-4-5-9-16(15)19(21)24/h4-6,8-9H,1-3,7,10-13H2,(H,20,22)
InChIKeySMOBTKNMJWKWDY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3235611) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3235611
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22N2O3/c22-17(20-12-10-14-6-2-1-3-7-14)11-13-21-18(23)15-8-4-5-9-16(15)19(21)24/h4-6,8-9H,1-3,7,10-13H2,(H,20,22)
InChIKeySMOBTKNMJWKWDY-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 3235611) is N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is SMOBTKNMJWKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(20-12-10-14-6-2-1-3-7-14)11-13-21-18(23)15-8-4-5-9-16(15)19(21)24/h4-6,8-9H,1-3,7,10-13H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.68, 6 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]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).