5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide

C17H21NO3 — CID 110761322

IUPAC5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-17(2,3)12-7-8-15(20-4)14(10-12)16(19)18-11-13-6-5-9-21-13/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyZPTCDOYMFSYNFU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds4

About 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide

5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 110761322) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID110761322
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NCc1ccco1
InChIInChI=1S/C17H21NO3/c1-17(2,3)12-7-8-15(20-4)14(10-12)16(19)18-11-13-6-5-9-21-13/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyZPTCDOYMFSYNFU-UHFFFAOYSA-N
XLogP3.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
CID 24880404
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The IUPAC name of 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 110761322) is 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccc(C(C)(C)C)cc1C(=O)NCc1ccco1.
What is the InChIKey of 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is ZPTCDOYMFSYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2,3)12-7-8-15(20-4)14(10-12)16(19)18-11-13-6-5-9-21-13/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide?
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 110761322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).