N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide

C18H18N2O5 — CID 4789688

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-12(19-17(21)10-23-14-5-3-2-4-6-14)18(22)20-13-7-8-15-16(9-13)25-11-24-15/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIJNCSXLNWPPNGS-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.94
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide

N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 4789688) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID4789688
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O5/c1-12(19-17(21)10-23-14-5-3-2-4-6-14)18(22)20-13-7-8-15-16(9-13)25-11-24-15/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIJNCSXLNWPPNGS-UHFFFAOYSA-N
XLogP1.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 2566489
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]propanamide
CID 55598497
(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 124557642
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905608
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 8910556
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874733

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide (CID 4789688) is N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide is CC(NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is IJNCSXLNWPPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(19-17(21)10-23-14-5-3-2-4-6-14)18(22)20-13-7-8-15-16(9-13)25-11-24-15/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide?
N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 342.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 4789688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).