N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide

C17H21NO4 — CID 28666099

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(CO)o1
InChIInChI=1S/C17H21NO4/c1-17(2,3)16(20)18-11-5-7-13(15(9-11)21-4)14-8-6-12(10-19)22-14/h5-9,19H,10H2,1-4H3,(H,18,20)
InChIKeyNBUVVVRFQTYPPB-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.43
Rot. Bonds4

About N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 28666099) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID28666099
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(CO)o1
InChIInChI=1S/C17H21NO4/c1-17(2,3)16(20)18-11-5-7-13(15(9-11)21-4)14-8-6-12(10-19)22-14/h5-9,19H,10H2,1-4H3,(H,18,20)
InChIKeyNBUVVVRFQTYPPB-UHFFFAOYSA-N
XLogP3.43
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
CID 168653185
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
2-fluoro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667056
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3-phenylprop-2-enamide
CID 28677657
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]naphthalene-2-carboxamide
CID 28668742
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-2-methylpropanamide
CID 28677251
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylpentanamide
CID 28686777
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 28688517
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-4-methylbenzamide
CID 28686922
2-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyanilino]methylidene]propanedinitrile
CID 168543539

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide (CID 28666099) is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide is COc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(CO)o1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is NBUVVVRFQTYPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)16(20)18-11-5-7-13(15(9-11)21-4)14-8-6-12(10-19)22-14/h5-9,19H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 28666099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).