1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C21H19NO2 — CID 11209324

IUPAC1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1c2ccccc2OC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C21H19NO2/c1-15(23)22-18(14-24-21-12-5-4-11-20(21)22)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyMCUCXAZKTQBKAO-GOSISDBHSA-N
MW317.39 g/mol
LogP4.20
Rot. Bonds2

About 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 11209324) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID11209324
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1c2ccccc2OC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C21H19NO2/c1-15(23)22-18(14-24-21-12-5-4-11-20(21)22)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,18H,13-14H2,1H3/t18-/m1/s1
InChIKeyMCUCXAZKTQBKAO-GOSISDBHSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-benzyl-6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377126
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-naphthalen-1-ylacetamide
CID 8501428
3-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 152767426
2-[(3R)-4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
CID 40560566
(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2426915
1-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-methylphenyl)ethanone
CID 95898964
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-naphthalen-1-ylethanone
CID 71785974
2-[4-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid
CID 3555446
2-(4-benzoyl-2,3-dihydro-1,4-benzoxazin-3-yl)butanoic acid
CID 57375085
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tert-butyl 3-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 11324696

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 11209324) is 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CC(=O)N1c2ccccc2OC[C@H]1Cc1cccc2ccccc12.
What is the InChIKey of 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is MCUCXAZKTQBKAO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15(23)22-18(14-24-21-12-5-4-11-20(21)22)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,18H,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 11209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).