2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide

C20H27N3O4 — CID 128710064

IUPAC2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H27N3O4/c1-13(2)20(14-3-6-16-17(9-14)27-8-7-26-16)21-18(24)10-22-11-19(25)23(12-22)15-4-5-15/h3,6,9,13,15,20H,4-5,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyRABXBPHSAMXEGX-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.54
Rot. Bonds6

About 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide

2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide (PubChem CID 128710064) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
PubChem CID128710064
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
SMILESCC(C)C(NC(=O)CN1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H27N3O4/c1-13(2)20(14-3-6-16-17(9-14)27-8-7-26-16)21-18(24)10-22-11-19(25)23(12-22)15-4-5-15/h3,6,9,13,15,20H,4-5,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyRABXBPHSAMXEGX-UHFFFAOYSA-N
XLogP1.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 17450970
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 55409616
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40927625
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40927627
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
CID 11937671
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9258397
(3S)-1-[2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8546978
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 9258530
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[4-(4-hydroxybutyl)piperazin-1-yl]acetamide
CID 95785955
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 51924562
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 9402120
2-(3-bromophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 60616411

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide (CID 128710064) is 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide is CC(C)C(NC(=O)CN1CC(=O)N(C2CC2)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
The InChIKey is RABXBPHSAMXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(2)20(14-3-6-16-17(9-14)27-8-7-26-16)21-18(24)10-22-11-19(25)23(12-22)15-4-5-15/h3,6,9,13,15,20H,4-5,7-8,10-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide?
2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-oxoimidazolidin-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 128710064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).