2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide

C16H19NO3 — CID 39000210

IUPAC2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(C)C)c(C)o1
InChIInChI=1S/C16H19NO3/c1-10(2)19-15-8-6-5-7-14(15)17-16(18)13-9-11(3)20-12(13)4/h5-10H,1-4H3,(H,17,18)
InChIKeyAVPXPHGEAVCQQS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.94
Rot. Bonds4

About 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide

2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide (PubChem CID 39000210) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
PubChem CID39000210
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OC(C)C)c(C)o1
InChIInChI=1S/C16H19NO3/c1-10(2)19-15-8-6-5-7-14(15)17-16(18)13-9-11(3)20-12(13)4/h5-10H,1-4H3,(H,17,18)
InChIKeyAVPXPHGEAVCQQS-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide (CID 39000210) is 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2OC(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide?
The InChIKey is AVPXPHGEAVCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)19-15-8-6-5-7-14(15)17-16(18)13-9-11(3)20-12(13)4/h5-10H,1-4H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide?
2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide is sourced from PubChem (CID 39000210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).