7-methoxy-N-propyl-1-benzoxepine-4-carboxamide

C15H17NO3 — CID 20896732

IUPAC7-methoxy-N-propyl-1-benzoxepine-4-carboxamide
SMILESCCCNC(=O)C1=Cc2cc(OC)ccc2OC=C1
InChIInChI=1S/C15H17NO3/c1-3-7-16-15(17)11-6-8-19-14-5-4-13(18-2)10-12(14)9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,17)
InChIKeyBVRPRJITMNLGSD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds4

About 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide

7-methoxy-N-propyl-1-benzoxepine-4-carboxamide (PubChem CID 20896732) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-propyl-1-benzoxepine-4-carboxamide
PubChem CID20896732
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name7-methoxy-N-propyl-1-benzoxepine-4-carboxamide
SMILESCCCNC(=O)C1=Cc2cc(OC)ccc2OC=C1
InChIInChI=1S/C15H17NO3/c1-3-7-16-15(17)11-6-8-19-14-5-4-13(18-2)10-12(14)9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,17)
InChIKeyBVRPRJITMNLGSD-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide?
The IUPAC name of 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide (CID 20896732) is 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide.
What is the SMILES notation for 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide?
The canonical SMILES for 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide is CCCNC(=O)C1=Cc2cc(OC)ccc2OC=C1.
What is the InChIKey of 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide?
The InChIKey is BVRPRJITMNLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-7-16-15(17)11-6-8-19-14-5-4-13(18-2)10-12(14)9-11/h4-6,8-10H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide?
7-methoxy-N-propyl-1-benzoxepine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-propyl-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 20896732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).