N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

C18H23NO3 — CID 43048903

IUPACN-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)C(C)C)o2)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)14(4)19-18(20)17-10-9-16(22-17)11-21-15-7-5-13(3)6-8-15/h5-10,12,14H,11H2,1-4H3,(H,19,20)
InChIKeyQGGUBSJMQQPQCG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds6

About N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide

N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 43048903) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID43048903
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)C(C)C)o2)cc1
InChIInChI=1S/C18H23NO3/c1-12(2)14(4)19-18(20)17-10-9-16(22-17)11-21-15-7-5-13(3)6-8-15/h5-10,12,14H,11H2,1-4H3,(H,19,20)
InChIKeyQGGUBSJMQQPQCG-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
5-[[tert-butyl-[(4-methylphenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 3669534
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide (CID 43048903) is N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC(C)C(C)C)o2)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is QGGUBSJMQQPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12(2)14(4)19-18(20)17-10-9-16(22-17)11-21-15-7-5-13(3)6-8-15/h5-10,12,14H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide?
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 43048903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).