N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide

C16H21NO3 — CID 110479488

IUPACN-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCOc2ccc(C)cc2C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-5-15(18)17-13-8-9-20-14-7-6-11(2)10-12(14)16(13)19/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyUVVOLQQQTDCCGX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.64
Rot. Bonds4

About N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide

N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide (PubChem CID 110479488) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
PubChem CID110479488
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCOc2ccc(C)cc2C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-5-15(18)17-13-8-9-20-14-7-6-11(2)10-12(14)16(13)19/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyUVVOLQQQTDCCGX-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110478649
2,2-dimethyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110479668
2-methyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478514
4-amino-N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110479945
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 172671419

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide?
The IUPAC name of N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide (CID 110479488) is N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide.
What is the SMILES notation for N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide?
The canonical SMILES for N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide is CCCCC(=O)NC1CCOc2ccc(C)cc2C1=O.
What is the InChIKey of N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide?
The InChIKey is UVVOLQQQTDCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-5-15(18)17-13-8-9-20-14-7-6-11(2)10-12(14)16(13)19/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide?
N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide has a molecular weight of 275.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide is sourced from PubChem (CID 110479488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).