3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

C15H21NO2 — CID 27233431

IUPAC3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-10-7-11(2)9-13(8-10)15(17)16-12(3)14-5-4-6-18-14/h7-9,12,14H,4-6H2,1-3H3,(H,16,17)/t12-,14+/m1/s1
InChIKeyMFDLETVRXNHKDX-OCCSQVGLSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds3

About 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (PubChem CID 27233431) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
PubChem CID27233431
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-10-7-11(2)9-13(8-10)15(17)16-12(3)14-5-4-6-18-14/h7-9,12,14H,4-6H2,1-3H3,(H,16,17)/t12-,14+/m1/s1
InChIKeyMFDLETVRXNHKDX-OCCSQVGLSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 60507165
3-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371520
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
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]-5-propan-2-ylthiophene-3-carboxamide
CID 29037742
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (CID 27233431) is 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is Cc1cc(C)cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is MFDLETVRXNHKDX-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-11(2)9-13(8-10)15(17)16-12(3)14-5-4-6-18-14/h7-9,12,14H,4-6H2,1-3H3,(H,16,17)/t12-,14+/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 27233431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).