N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide

C17H21NO3 — CID 110780466

IUPACN-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccco2)cc1C(C)(C)C
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-10-12(7-8-14(13)20-4)11-18-16(19)15-6-5-9-21-15/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyULVWPBSQOGAGBN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds4

About N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide

N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 110780466) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID110780466
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccco2)cc1C(C)(C)C
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-10-12(7-8-14(13)20-4)11-18-16(19)15-6-5-9-21-15/h5-10H,11H2,1-4H3,(H,18,19)
InChIKeyULVWPBSQOGAGBN-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

methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[3-[[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 111201000
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide (CID 110780466) is N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccco2)cc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is ULVWPBSQOGAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2,3)13-10-12(7-8-14(13)20-4)11-18-16(19)15-6-5-9-21-15/h5-10H,11H2,1-4H3,(H,18,19).
What are the key properties of N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide?
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide 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 N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110780466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).