N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

C18H23NO3 — CID 19452808

IUPACN-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C18H23NO3/c1-4-5-10-19-18(20)16-9-8-15(22-16)12-21-17-11-13(2)6-7-14(17)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,19,20)
InChIKeyBDUWNTZHRMXREV-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.01
Rot. Bonds7

About N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19452808) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19452808
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C18H23NO3/c1-4-5-10-19-18(20)16-9-8-15(22-16)12-21-17-11-13(2)6-7-14(17)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,19,20)
InChIKeyBDUWNTZHRMXREV-UHFFFAOYSA-N
XLogP4.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
CID 19452718
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267
N-[3-(dimethylamino)-2-hydroxypropyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110281214
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19283360
5-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19331041
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110279457

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19452808) is N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is CCCCNC(=O)c1ccc(COc2cc(C)ccc2C)o1.
What is the InChIKey of N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is BDUWNTZHRMXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-5-10-19-18(20)16-9-8-15(22-16)12-21-17-11-13(2)6-7-14(17)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,19,20).
What are the key properties of N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19452808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).