N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide

C20H28N2O3 — CID 71868570

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)N2CC3C4CCC(O4)C3C2)cc1
InChIInChI=1S/C20H28N2O3/c1-12(2)24-15-6-4-14(5-7-15)13(3)21-20(23)22-10-16-17(11-22)19-9-8-18(16)25-19/h4-7,12-13,16-19H,8-11H2,1-3H3,(H,21,23)
InChIKeyWKQZBEHBBCZECL-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide

N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide (PubChem CID 71868570) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
PubChem CID71868570
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)N2CC3C4CCC(O4)C3C2)cc1
InChIInChI=1S/C20H28N2O3/c1-12(2)24-15-6-4-14(5-7-15)13(3)21-20(23)22-10-16-17(11-22)19-9-8-18(16)25-19/h4-7,12-13,16-19H,8-11H2,1-3H3,(H,21,23)
InChIKeyWKQZBEHBBCZECL-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide with MolForge

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Related Compounds

4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990563
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
4-cyano-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]piperidine-1-carboxamide
CID 94871502
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethoxypiperidine-1-carboxamide
CID 51091257
1-(2-hydroxycyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 110933256
tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
CID 113231793
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide (CID 71868570) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide is CC(C)Oc1ccc(C(C)NC(=O)N2CC3C4CCC(O4)C3C2)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide?
The InChIKey is WKQZBEHBBCZECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-12(2)24-15-6-4-14(5-7-15)13(3)21-20(23)22-10-16-17(11-22)19-9-8-18(16)25-19/h4-7,12-13,16-19H,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide is sourced from PubChem (CID 71868570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).