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

C29H37N3O4 — CID 46508834

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CC2(CCCC2)c2cc3c(cc2C1C)OCCO3
InChIInChI=1S/C29H37N3O4/c1-19-8-7-9-20(2)28(19)30-26(33)16-31(4)27(34)17-32-18-29(10-5-6-11-29)23-15-25-24(35-12-13-36-25)14-22(23)21(32)3/h7-9,14-15,21H,5-6,10-13,16-18H2,1-4H3,(H,30,33)
InChIKeyHPPUNXIMIWRLKF-UHFFFAOYSA-N
MW491.63 g/mol
LogP4.36
Rot. Bonds5

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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide (PubChem CID 46508834) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide
PubChem CID46508834
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CC2(CCCC2)c2cc3c(cc2C1C)OCCO3
InChIInChI=1S/C29H37N3O4/c1-19-8-7-9-20(2)28(19)30-26(33)16-31(4)27(34)17-32-18-29(10-5-6-11-29)23-15-25-24(35-12-13-36-25)14-22(23)21(32)3/h7-9,14-15,21H,5-6,10-13,16-18H2,1-4H3,(H,30,33)
InChIKeyHPPUNXIMIWRLKF-UHFFFAOYSA-N
XLogP4.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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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Related Compounds

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
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide
CID 55504752
ethyl 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]-1,3-thiazole-2-carboxylate
CID 60507100
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571576
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55917278
N-[4-(dimethylcarbamoyl)phenyl]-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carboxamide
CID 167774854
cyclobutyl-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
CID 51324675
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314
(2,2-dichloro-1-methylcyclopropyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
CID 55520300
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2574814
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide (CID 46508834) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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)CN(C)C(=O)CN1CC2(CCCC2)c2cc3c(cc2C1C)OCCO3.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide?
The InChIKey is HPPUNXIMIWRLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-19-8-7-9-20(2)28(19)30-26(33)16-31(4)27(34)17-32-18-29(10-5-6-11-29)23-15-25-24(35-12-13-36-25)14-22(23)21(32)3/h7-9,14-15,21H,5-6,10-13,16-18H2,1-4H3,(H,30,33).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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 491.63 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(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 46508834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).