N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

C19H21NO4 — CID 38999351

IUPACN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H21NO4/c1-13(2)24-16-7-4-3-6-15(16)20-19(21)14-8-9-17-18(12-14)23-11-5-10-22-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyJPOIYEFBFJZAJO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.89
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (PubChem CID 38999351) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
PubChem CID38999351
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C19H21NO4/c1-13(2)24-16-7-4-3-6-15(16)20-19(21)14-8-9-17-18(12-14)23-11-5-10-22-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyJPOIYEFBFJZAJO-UHFFFAOYSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46624598
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CID 38999351) is N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The InChIKey is JPOIYEFBFJZAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)24-16-7-4-3-6-15(16)20-19(21)14-8-9-17-18(12-14)23-11-5-10-22-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is sourced from PubChem (CID 38999351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).