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

C18H23NO3 — CID 19452717

IUPACN-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C18H23NO3/c1-5-14(4)19-18(20)16-9-8-15(22-16)11-21-17-10-12(2)6-7-13(17)3/h6-10,14H,5,11H2,1-4H3,(H,19,20)
InChIKeyFSZFAIUTOXCEEU-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.00
Rot. Bonds6

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

N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19452717) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19452717
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C18H23NO3/c1-5-14(4)19-18(20)16-9-8-15(22-16)11-21-17-10-12(2)6-7-13(17)3/h6-10,14H,5,11H2,1-4H3,(H,19,20)
InChIKeyFSZFAIUTOXCEEU-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
CID 19452718
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110279457
N-[3-(dimethylamino)-2-hydroxypropyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110281214
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19452717) is N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1.
What is the InChIKey of N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is FSZFAIUTOXCEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-14(4)19-18(20)16-9-8-15(22-16)11-21-17-10-12(2)6-7-13(17)3/h6-10,14H,5,11H2,1-4H3,(H,19,20).
What are the key properties of N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19452717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).