N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide

C26H32N2O3 — CID 40895435

IUPACN-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3
InChIInChI=1S/C26H32N2O3/c1-17-7-6-8-18(2)25(17)27-24(29)15-28-16-26(9-4-5-10-26)21-14-23-22(30-11-12-31-23)13-20(21)19(28)3/h6-8,13-14,19H,4-5,9-12,15-16H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyRAPRFNYZSAFSBJ-LJQANCHMSA-N
MW420.55 g/mol
LogP4.90
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide (PubChem CID 40895435) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide
PubChem CID40895435
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3
InChIInChI=1S/C26H32N2O3/c1-17-7-6-8-18(2)25(17)27-24(29)15-28-16-26(9-4-5-10-26)21-14-23-22(30-11-12-31-23)13-20(21)19(28)3/h6-8,13-14,19H,4-5,9-12,15-16H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyRAPRFNYZSAFSBJ-LJQANCHMSA-N
XLogP4.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide (CID 40895435) is N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide?
The InChIKey is RAPRFNYZSAFSBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-17-7-6-8-18(2)25(17)27-24(29)15-28-16-26(9-4-5-10-26)21-14-23-22(30-11-12-31-23)13-20(21)19(28)3/h6-8,13-14,19H,4-5,9-12,15-16H2,1-3H3,(H,27,29)/t19-/m1/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide has a molecular weight of 420.55 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]acetamide is sourced from PubChem (CID 40895435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).