N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide

C14H20N2O2 — CID 116657610

IUPACN,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
SMILESCCN(CC)C(=O)N1CCCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-15(4-2)14(17)16-10-7-11-18-13-9-6-5-8-12(13)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyJYFXTVWBQAYXOJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.74
Rot. Bonds2

About N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide

N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide (PubChem CID 116657610) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
PubChem CID116657610
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
SMILESCCN(CC)C(=O)N1CCCOc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-3-15(4-2)14(17)16-10-7-11-18-13-9-6-5-8-12(13)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyJYFXTVWBQAYXOJ-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide?
The IUPAC name of N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide (CID 116657610) is N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide?
The canonical SMILES for N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide is CCN(CC)C(=O)N1CCCOc2ccccc21.
What is the InChIKey of N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide?
The InChIKey is JYFXTVWBQAYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-15(4-2)14(17)16-10-7-11-18-13-9-6-5-8-12(13)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide?
N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide is sourced from PubChem (CID 116657610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).