N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide

C19H24N2O4 — CID 136565131

IUPACN-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NC1CCCC12CCOCC2)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C19H24N2O4/c22-17(21-16-2-1-5-19(16)6-9-24-10-7-19)13-3-4-15-14(12-13)18(23)20-8-11-25-15/h3-4,12,16H,1-2,5-11H2,(H,20,23)(H,21,22)
InChIKeyOWWDVZSHMNJNFK-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.89
Rot. Bonds2

About N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide

N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide (PubChem CID 136565131) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound NameN-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
PubChem CID136565131
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NC1CCCC12CCOCC2)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C19H24N2O4/c22-17(21-16-2-1-5-19(16)6-9-24-10-7-19)13-3-4-15-14(12-13)18(23)20-8-11-25-15/h3-4,12,16H,1-2,5-11H2,(H,20,23)(H,21,22)
InChIKeyOWWDVZSHMNJNFK-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide (CID 136565131) is N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide is O=C(NC1CCCC12CCOCC2)c1ccc2c(c1)C(=O)NCCO2.
What is the InChIKey of N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The InChIKey is OWWDVZSHMNJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(21-16-2-1-5-19(16)6-9-24-10-7-19)13-3-4-15-14(12-13)18(23)20-8-11-25-15/h3-4,12,16H,1-2,5-11H2,(H,20,23)(H,21,22).
What are the key properties of N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxaspiro[4.5]decan-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 136565131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).