3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide

C15H19NO4 — CID 110480512

IUPAC3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
SMILESCOCCC(=O)NC1CCOc2c(C)cccc2C1=O
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11-14(18)12(6-9-20-15(10)11)16-13(17)7-8-19-2/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyOFHNEDDVQPXAHA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds4

About 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide

3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide (PubChem CID 110480512) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
PubChem CID110480512
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
SMILESCOCCC(=O)NC1CCOc2c(C)cccc2C1=O
InChIInChI=1S/C15H19NO4/c1-10-4-3-5-11-14(18)12(6-9-20-15(10)11)16-13(17)7-8-19-2/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyOFHNEDDVQPXAHA-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110479669
ethyl N-(9-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)carbamate
CID 110479329
N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide
CID 110478605
N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
CID 110479488
N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 126774817
N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110478649
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
4-amino-N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110479945
1-(2,2-difluoroethyl)-3-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]urea
CID 86807127
2-amino-N-(5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478824
N-[2-[(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]benzamide
CID 51104169

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide?
The IUPAC name of 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide (CID 110480512) is 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide.
What is the SMILES notation for 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide?
The canonical SMILES for 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide is COCCC(=O)NC1CCOc2c(C)cccc2C1=O.
What is the InChIKey of 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide?
The InChIKey is OFHNEDDVQPXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-4-3-5-11-14(18)12(6-9-20-15(10)11)16-13(17)7-8-19-2/h3-5,12H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide?
3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide is sourced from PubChem (CID 110480512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).