4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide

C16H23NO2 — CID 2847846

IUPAC4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyTWORYSIVMSFUFY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds3

About 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide

4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2847846) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2847846
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyTWORYSIVMSFUFY-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
Acetamide, N-tetrahydrofurfuryl-2-phenyl-
CID 531986
N-[3-(morpholin-4-yl)propyl]-4-(propan-2-yl)benzamide
CID 2164117
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
4-tert-butyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 9262304
N,N'-Bis-(tetrahydro-furan-2-ylmethyl)-terephthalamide
CID 551361
N-(2-methoxyethyl)-4-[oxo(phenyl)acetyl]benzamide
CID 1568335
2-(4-tert-Butyl-benzoylamino)-propionic acid methyl ester
CID 2918890

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide (CID 2847846) is 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is TWORYSIVMSFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide?
4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2847846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).