N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

C21H21NO3 — CID 18830628

IUPACN-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C21H21NO3/c1-14-4-8-18(9-5-14)24-13-19-10-11-20(25-19)21(23)22-17-7-6-15(2)16(3)12-17/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyUSHNZIFCBDNSRA-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.04
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 18830628) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID18830628
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C21H21NO3/c1-14-4-8-18(9-5-14)24-13-19-10-11-20(25-19)21(23)22-17-7-6-15(2)16(3)12-17/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyUSHNZIFCBDNSRA-UHFFFAOYSA-N
XLogP5.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (CID 18830628) is N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is USHNZIFCBDNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-4-8-18(9-5-14)24-13-19-10-11-20(25-19)21(23)22-17-7-6-15(2)16(3)12-17/h4-12H,13H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 18830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).