N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

C14H19NO4 — CID 50812310

IUPACN-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCOCCNC(=O)c1cc2c(cc1C)OCCCO2
InChIInChI=1S/C14H19NO4/c1-10-8-12-13(19-6-3-5-18-12)9-11(10)14(16)15-4-7-17-2/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMRWZSFWMQYXEGO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds4

About N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (PubChem CID 50812310) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
PubChem CID50812310
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCOCCNC(=O)c1cc2c(cc1C)OCCCO2
InChIInChI=1S/C14H19NO4/c1-10-8-12-13(19-6-3-5-18-12)9-11(10)14(16)15-4-7-17-2/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMRWZSFWMQYXEGO-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812660
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
8-amino-N-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 91438223
N-(cyanomethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 82475079
N-(2-methoxyethyl)-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 91418113
6-chloro-N-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 29198594
N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763647
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CID 50812310) is N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is COCCNC(=O)c1cc2c(cc1C)OCCCO2.
What is the InChIKey of N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The InChIKey is MRWZSFWMQYXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-8-12-13(19-6-3-5-18-12)9-11(10)14(16)15-4-7-17-2/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is sourced from PubChem (CID 50812310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).