N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H20N2O3 — CID 18143367

IUPACN-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O3/c1-14(17-12-11-16-7-3-4-8-18(16)13-17)23-21(25)15(2)24-19-9-5-6-10-20(19)27-22(24)26/h3-15H,1-2H3,(H,23,25)
InChIKeyHJGASQZOVAAPJI-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.19
Rot. Bonds4

About N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18143367) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18143367
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O3/c1-14(17-12-11-16-7-3-4-8-18(16)13-17)23-21(25)15(2)24-19-9-5-6-10-20(19)27-22(24)26/h3-15H,1-2H3,(H,23,25)
InChIKeyHJGASQZOVAAPJI-UHFFFAOYSA-N
XLogP4.19
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24625588
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 99773500
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]propanamide
CID 86769881
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580528
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580526
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 26041420
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18143367) is N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(NC(=O)C(C)n1c(=O)oc2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is HJGASQZOVAAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14(17-12-11-16-7-3-4-8-18(16)13-17)23-21(25)15(2)24-19-9-5-6-10-20(19)27-22(24)26/h3-15H,1-2H3,(H,23,25).
What are the key properties of N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 360.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18143367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).