N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide

C14H19NO3 — CID 110477525

IUPACN-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
SMILESCCC(=O)NC1CCCOc2cc(OC)ccc21
InChIInChI=1S/C14H19NO3/c1-3-14(16)15-12-5-4-8-18-13-9-10(17-2)6-7-11(12)13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyMYNPWBPAVGNEAQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.44
Rot. Bonds3

About N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide

N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide (PubChem CID 110477525) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide.

Molecular Properties

Compound NameN-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
PubChem CID110477525
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
SMILESCCC(=O)NC1CCCOc2cc(OC)ccc21
InChIInChI=1S/C14H19NO3/c1-3-14(16)15-12-5-4-8-18-13-9-10(17-2)6-7-11(12)13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyMYNPWBPAVGNEAQ-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5S)-8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 97161642
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
CID 110480046
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(methylamino)acetamide
CID 120705764
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)-4,5-dimethylpyridine-2-carboxamide
CID 136564096
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461741
1-(2-hydroxy-2,3-dihydro-1H-inden-4-yl)-3-(7-methoxy-3,4-dihydro-2H-chromen-4-yl)urea
CID 71599574
3-amino-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide;hydrochloride
CID 120874099
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide?
The IUPAC name of N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide (CID 110477525) is N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide.
What is the SMILES notation for N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide?
The canonical SMILES for N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide is CCC(=O)NC1CCCOc2cc(OC)ccc21.
What is the InChIKey of N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide?
The InChIKey is MYNPWBPAVGNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-14(16)15-12-5-4-8-18-13-9-10(17-2)6-7-11(12)13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide?
N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide is sourced from PubChem (CID 110477525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).