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

C14H19BrN2O3 — CID 104902736

IUPAC(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H19BrN2O3/c1-8(2)5-10(16)14(18)17-11-7-13-12(6-9(11)15)19-3-4-20-13/h6-8,10H,3-5,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyVEVCAPLHPCZPCY-SNVBAGLBSA-N
MW343.22 g/mol
LogP2.53
Rot. Bonds4

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

(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide (PubChem CID 104902736) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
PubChem CID104902736
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H19BrN2O3/c1-8(2)5-10(16)14(18)17-11-7-13-12(6-9(11)15)19-3-4-20-13/h6-8,10H,3-5,16H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyVEVCAPLHPCZPCY-SNVBAGLBSA-N
XLogP2.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 60852954
(2S)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpentanamide
CID 61172298
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pentan-2-ylurea
CID 47132810
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-hydroxypentanamide
CID 79200507
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
CID 13419970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide (CID 104902736) is (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide?
The InChIKey is VEVCAPLHPCZPCY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-8(2)5-10(16)14(18)17-11-7-13-12(6-9(11)15)19-3-4-20-13/h6-8,10H,3-5,16H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide?
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide has a molecular weight of 343.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide is sourced from PubChem (CID 104902736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).