N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide

C11H13NO4 — CID 16769727

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C11H13NO4/c13-7-11(14)12-8-2-3-9-10(6-8)16-5-1-4-15-9/h2-3,6,13H,1,4-5,7H2,(H,12,14)
InChIKeyWJKMTUFKJYKVRS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.78
Rot. Bonds2

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide (PubChem CID 16769727) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
PubChem CID16769727
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C11H13NO4/c13-7-11(14)12-8-2-3-9-10(6-8)16-5-1-4-15-9/h2-3,6,13H,1,4-5,7H2,(H,12,14)
InChIKeyWJKMTUFKJYKVRS-UHFFFAOYSA-N
XLogP0.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide 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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
(3Z)-3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-hydroxyiminopropanamide
CID 43156032
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid
CID 2809500
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 115173480
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylsulfanylacetamide
CID 26712232

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide (CID 16769727) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide is O=C(CO)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide?
The InChIKey is WJKMTUFKJYKVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-11(14)12-8-2-3-9-10(6-8)16-5-1-4-15-9/h2-3,6,13H,1,4-5,7H2,(H,12,14).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide has a molecular weight of 223.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide is sourced from PubChem (CID 16769727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).