N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide

C18H19NO4 — CID 110778020

IUPACN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
SMILESCc1cc2c(cc1NC(=O)CCOc1ccccc1)OCCO2
InChIInChI=1S/C18H19NO4/c1-13-11-16-17(23-10-9-22-16)12-15(13)19-18(20)7-8-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyDEWGLZNPDKFOAC-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.17
Rot. Bonds5

About N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide

N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide (PubChem CID 110778020) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
PubChem CID110778020
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
SMILESCc1cc2c(cc1NC(=O)CCOc1ccccc1)OCCO2
InChIInChI=1S/C18H19NO4/c1-13-11-16-17(23-10-9-22-16)12-15(13)19-18(20)7-8-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyDEWGLZNPDKFOAC-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
ethyl N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 110778029

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide?
The IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide (CID 110778020) is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide is Cc1cc2c(cc1NC(=O)CCOc1ccccc1)OCCO2.
What is the InChIKey of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide?
The InChIKey is DEWGLZNPDKFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-11-16-17(23-10-9-22-16)12-15(13)19-18(20)7-8-21-14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3,(H,19,20).
What are the key properties of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide?
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide has a molecular weight of 313.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide is sourced from PubChem (CID 110778020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).