2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide

C14H19BrN2O3 — CID 60852954

IUPAC2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H19BrN2O3/c1-2-3-4-10(16)14(18)17-11-8-13-12(7-9(11)15)19-5-6-20-13/h7-8,10H,2-6,16H2,1H3,(H,17,18)
InChIKeyXNPFOWDZUPRQPB-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide

2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide (PubChem CID 60852954) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
PubChem CID60852954
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H19BrN2O3/c1-2-3-4-10(16)14(18)17-11-8-13-12(7-9(11)15)19-5-6-20-13/h7-8,10H,2-6,16H2,1H3,(H,17,18)
InChIKeyXNPFOWDZUPRQPB-UHFFFAOYSA-N
XLogP2.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide 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

2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 103831144
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
(2S)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpentanamide
CID 61172298
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pentan-2-ylurea
CID 47132810
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
ethyl 4-[[(2S)-2-aminohexanoyl]amino]-3-bromobenzoate
CID 107143990
ethyl 4-(2-aminohexanoylamino)-3-bromobenzoate
CID 60852067
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-hydroxypentanamide
CID 79200507
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfanylbutanamide
CID 61155646

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The IUPAC name of 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide (CID 60852954) is 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The canonical SMILES for 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide is CCCCC(N)C(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
The InChIKey is XNPFOWDZUPRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-2-3-4-10(16)14(18)17-11-8-13-12(7-9(11)15)19-5-6-20-13/h7-8,10H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide?
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide has a molecular weight of 343.22 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide is sourced from PubChem (CID 60852954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).