N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide

C19H26N2O5 — CID 131937433

IUPACN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)N1C[C@@H](C)O[C@@H](C)C1)OCCO2
InChIInChI=1S/C19H26N2O5/c1-11-9-21(10-12(2)26-11)13(3)19(23)20-16-8-18-17(24-5-6-25-18)7-15(16)14(4)22/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,23)/t11-,12+,13?
InChIKeyALGPMFLDZWDVHL-FUNVUKJBSA-N
MW362.43 g/mol
LogP2.10
Rot. Bonds4

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 131937433) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID131937433
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)N1C[C@@H](C)O[C@@H](C)C1)OCCO2
InChIInChI=1S/C19H26N2O5/c1-11-9-21(10-12(2)26-11)13(3)19(23)20-16-8-18-17(24-5-6-25-18)7-15(16)14(4)22/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,23)/t11-,12+,13?
InChIKeyALGPMFLDZWDVHL-FUNVUKJBSA-N
XLogP2.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
(2S)-N-(2-benzoylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 27132550
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 5311859

Frequently Asked Questions

What is the IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide (CID 131937433) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide is CC(=O)c1cc2c(cc1NC(=O)C(C)N1C[C@@H](C)O[C@@H](C)C1)OCCO2.
What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is ALGPMFLDZWDVHL-FUNVUKJBSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-11-9-21(10-12(2)26-11)13(3)19(23)20-16-8-18-17(24-5-6-25-18)7-15(16)14(4)22/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,20,23)/t11-,12+,13?.
What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 131937433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).