4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

C23H29NO3 — CID 6914711

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-23(2,3)19-10-12-20(13-11-19)27-16-17-6-8-18(9-7-17)22(25)24-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyYHPSELSVRKZTKK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.47
Rot. Bonds6

About 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 6914711) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID6914711
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-23(2,3)19-10-12-20(13-11-19)27-16-17-6-8-18(9-7-17)22(25)24-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyYHPSELSVRKZTKK-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 6914711) is 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YHPSELSVRKZTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-23(2,3)19-10-12-20(13-11-19)27-16-17-6-8-18(9-7-17)22(25)24-15-21-5-4-14-26-21/h6-13,21H,4-5,14-16H2,1-3H3,(H,24,25).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 6914711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).