N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

C20H24N2O4 — CID 48875108

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)NCC3CC=CCC3)cc2C1=O
InChIInChI=1S/C20H24N2O4/c1-26-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)18(23)21-13-14-6-3-2-4-7-14/h2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,21,23)
InChIKeyPSGRQWIGRFAJMY-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.41
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 48875108) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID48875108
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)NCC3CC=CCC3)cc2C1=O
InChIInChI=1S/C20H24N2O4/c1-26-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)18(23)21-13-14-6-3-2-4-7-14/h2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,21,23)
InChIKeyPSGRQWIGRFAJMY-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
N-[2-(diethylcarbamoylamino)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108571981
N-[2-(4-fluorophenyl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9210461
2-(3-methoxypropyl)-N-(4-methylpiperazin-4-ium-1-yl)-1,3-dioxoisoindole-5-carboxamide
CID 9205419
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470489
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470488
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
N-(2-benzylsulfanylethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470310
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 42962369

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (CID 48875108) is N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)NCC3CC=CCC3)cc2C1=O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PSGRQWIGRFAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-26-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)18(23)21-13-14-6-3-2-4-7-14/h2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 48875108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).