2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide

C16H19NO3 — CID 13019988

IUPAC2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide
SMILESCCCOc1cccc(NC(=O)c2c(C)coc2C)c1
InChIInChI=1S/C16H19NO3/c1-4-8-19-14-7-5-6-13(9-14)17-16(18)15-11(2)10-20-12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyIUSAZTADKBXGJL-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.94
Rot. Bonds5

About 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide

2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide (PubChem CID 13019988) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide
PubChem CID13019988
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide
SMILESCCCOc1cccc(NC(=O)c2c(C)coc2C)c1
InChIInChI=1S/C16H19NO3/c1-4-8-19-14-7-5-6-13(9-14)17-16(18)15-11(2)10-20-12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyIUSAZTADKBXGJL-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide
CID 13019986
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
2-methyl-5-phenyl-N-(3-propoxyphenyl)furan-3-carboxamide
CID 2864448
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide (CID 13019988) is 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide is CCCOc1cccc(NC(=O)c2c(C)coc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide?
The InChIKey is IUSAZTADKBXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-8-19-14-7-5-6-13(9-14)17-16(18)15-11(2)10-20-12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide?
2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-propoxyphenyl)furan-3-carboxamide is sourced from PubChem (CID 13019988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).