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

C17H24N2O3 — CID 60507165

IUPAC3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-12(2)9-14(8-11)17(21)18-10-16(20)19-13(3)15-5-4-6-22-15/h7-9,13,15H,4-6,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyDUBUCKPQVSQQJJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds5

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

3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide (PubChem CID 60507165) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
PubChem CID60507165
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-12(2)9-14(8-11)17(21)18-10-16(20)19-13(3)15-5-4-6-22-15/h7-9,13,15H,4-6,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyDUBUCKPQVSQQJJ-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
3-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371520
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51163155
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
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide (CID 60507165) is 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)NC(C)C2CCCO2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide?
The InChIKey is DUBUCKPQVSQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-7-12(2)9-14(8-11)17(21)18-10-16(20)19-13(3)15-5-4-6-22-15/h7-9,13,15H,4-6,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 60507165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).