4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

C14H19NO2 — CID 27232652

IUPAC4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-10-5-7-12(8-6-10)14(16)15-11(2)13-4-3-9-17-13/h5-8,11,13H,3-4,9H2,1-2H3,(H,15,16)/t11-,13+/m0/s1
InChIKeyDGXXLKKPFNQIOS-WCQYABFASA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (PubChem CID 27232652) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
PubChem CID27232652
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-10-5-7-12(8-6-10)14(16)15-11(2)13-4-3-9-17-13/h5-8,11,13H,3-4,9H2,1-2H3,(H,15,16)/t11-,13+/m0/s1
InChIKeyDGXXLKKPFNQIOS-WCQYABFASA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 35240794
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
2-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (CID 27232652) is 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is DGXXLKKPFNQIOS-WCQYABFASA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-7-12(8-6-10)14(16)15-11(2)13-4-3-9-17-13/h5-8,11,13H,3-4,9H2,1-2H3,(H,15,16)/t11-,13+/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 27232652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).