2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide

C24H30N2O2 — CID 95055807

IUPAC2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide
SMILESO=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C24H30N2O2/c27-24(25-20-12-6-1-2-7-13-20)16-21-18-28-23-15-9-8-14-22(23)26(21)17-19-10-4-3-5-11-19/h3-5,8-11,14-15,20-21H,1-2,6-7,12-13,16-18H2,(H,25,27)/t21-/m1/s1
InChIKeyYUYHMCSVSDGZCC-OAQYLSRUSA-N
MW378.52 g/mol
LogP4.68
Rot. Bonds5

About 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide

2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide (PubChem CID 95055807) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide
PubChem CID95055807
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide
SMILESO=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C24H30N2O2/c27-24(25-20-12-6-1-2-7-13-20)16-21-18-28-23-15-9-8-14-22(23)26(21)17-19-10-4-3-5-11-19/h3-5,8-11,14-15,20-21H,1-2,6-7,12-13,16-18H2,(H,25,27)/t21-/m1/s1
InChIKeyYUYHMCSVSDGZCC-OAQYLSRUSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide
CID 53034029
2-[(3R)-4-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cyclopentylacetamide
CID 95055889
2-[(3S)-4-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cyclopentylacetamide
CID 95055888
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide
CID 93065925
2-[(3S)-6-chloro-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cyclopentylacetamide
CID 95055925
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide
CID 53034040
2-[(3S)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92710411
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 97043879
2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-cycloheptylacetamide
CID 53034082
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53077827
N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034093
2-[(3R)-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-prop-2-enylacetamide
CID 95055991

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide (CID 95055807) is 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide is O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NC1CCCCCC1.
What is the InChIKey of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide?
The InChIKey is YUYHMCSVSDGZCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(25-20-12-6-1-2-7-13-20)16-21-18-28-23-15-9-8-14-22(23)26(21)17-19-10-4-3-5-11-19/h3-5,8-11,14-15,20-21H,1-2,6-7,12-13,16-18H2,(H,25,27)/t21-/m1/s1.
What are the key properties of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide?
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide has a molecular weight of 378.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 95055807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).