2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone

C22H21NO2 — CID 16894712

IUPAC2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H21NO2/c24-22(15-19-11-6-10-17-7-4-5-12-20(17)19)23-13-14-25-21(16-23)18-8-2-1-3-9-18/h1-12,21H,13-16H2
InChIKeyIYEYYEXXTIIYDM-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.98
Rot. Bonds3

About 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone

2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 16894712) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID16894712
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H21NO2/c24-22(15-19-11-6-10-17-7-4-5-12-20(17)19)23-13-14-25-21(16-23)18-8-2-1-3-9-18/h1-12,21H,13-16H2
InChIKeyIYEYYEXXTIIYDM-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
CID 78945470
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629831
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone (CID 16894712) is 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone is O=C(Cc1cccc2ccccc12)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is IYEYYEXXTIIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(15-19-11-6-10-17-7-4-5-12-20(17)19)23-13-14-25-21(16-23)18-8-2-1-3-9-18/h1-12,21H,13-16H2.
What are the key properties of 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone?
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 331.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 16894712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).