2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide

C14H20N2O3 — CID 43086701

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-6-15-14(17)10(2)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyDEEMBSWILQUSDL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide (PubChem CID 43086701) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
PubChem CID43086701
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O3/c1-3-6-15-14(17)10(2)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyDEEMBSWILQUSDL-UHFFFAOYSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide
CID 8800783
N-butan-2-yl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 43112666
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
N-(2,6-dimethylheptan-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 29035143
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 40940064
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
N-tert-butyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 45282112
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-benzylpropanamide
CID 40680582
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide (CID 43086701) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide?
The InChIKey is DEEMBSWILQUSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-6-15-14(17)10(2)16-11-4-5-12-13(9-11)19-8-7-18-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide is sourced from PubChem (CID 43086701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).