2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide

C18H27N3O4 — CID 167775101

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide
SMILESCCC(NC(=O)NC(C)C(=O)N(C)CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H27N3O4/c1-5-14(13-7-8-15-16(11-13)25-10-9-24-15)20-18(23)19-12(3)17(22)21(4)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H2,19,20,23)
InChIKeyBACNDMGSDYYAND-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.07
Rot. Bonds6

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide (PubChem CID 167775101) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide
PubChem CID167775101
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide
SMILESCCC(NC(=O)NC(C)C(=O)N(C)CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H27N3O4/c1-5-14(13-7-8-15-16(11-13)25-10-9-24-15)20-18(23)19-12(3)17(22)21(4)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H2,19,20,23)
InChIKeyBACNDMGSDYYAND-UHFFFAOYSA-N
XLogP2.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 102554840
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
CID 119742450
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55908765
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide (CID 167775101) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide is CCC(NC(=O)NC(C)C(=O)N(C)CC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is BACNDMGSDYYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-5-14(13-7-8-15-16(11-13)25-10-9-24-15)20-18(23)19-12(3)17(22)21(4)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H2,19,20,23).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 167775101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).