[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone

C18H19NO2 — CID 116561335

IUPAC[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
SMILESCNC1COCC1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19-17-12-21-11-16(17)18(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3
InChIKeyJNFMXEVBEWIRGQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.77
Rot. Bonds4

About [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone

[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone (PubChem CID 116561335) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
PubChem CID116561335
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone
SMILESCNC1COCC1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-19-17-12-21-11-16(17)18(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3
InChIKeyJNFMXEVBEWIRGQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
(2-chlorophenyl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561275
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone
CID 116561386
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836
3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid
CID 66267606
(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561355
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
(5R)-2-methyl-5-(4-phenylbenzoyl)cyclopentane-1-carboxylic acid
CID 54044959
1-[4-(methylamino)oxolane-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564136
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone (CID 116561335) is [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone is CNC1COCC1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is JNFMXEVBEWIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-17-12-21-11-16(17)18(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone?
[4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 116561335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).