N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide

C16H23NO2 — CID 6468560

IUPACN-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-11(2)13-6-8-14(9-7-13)16(18)17-12(3)15-5-4-10-19-15/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyNJPKCNGZOQEKMG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide

N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 6468560) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
PubChem CID6468560
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(C)C2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-11(2)13-6-8-14(9-7-13)16(18)17-12(3)15-5-4-10-19-15/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyNJPKCNGZOQEKMG-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
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
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 35240794
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
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
N-[1-(oxolan-2-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 46573470

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide (CID 6468560) is N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC(C)C2CCCO2)cc1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is NJPKCNGZOQEKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)13-6-8-14(9-7-13)16(18)17-12(3)15-5-4-10-19-15/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide?
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 6468560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).