N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C17H21NO3 — CID 717167

IUPACN,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)N(C)C)o2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)13-5-7-14(8-6-13)20-11-15-9-10-16(21-15)17(19)18(3)4/h5-10,12H,11H2,1-4H3
InChIKeyQEYUTLMCHVMIDQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.68
Rot. Bonds5

About N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 717167) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID717167
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)N(C)C)o2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)13-5-7-14(8-6-13)20-11-15-9-10-16(21-15)17(19)18(3)4/h5-10,12H,11H2,1-4H3
InChIKeyQEYUTLMCHVMIDQ-UHFFFAOYSA-N
XLogP3.68
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 717167) is N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)N(C)C)o2)cc1.
What is the InChIKey of N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is QEYUTLMCHVMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)13-5-7-14(8-6-13)20-11-15-9-10-16(21-15)17(19)18(3)4/h5-10,12H,11H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 717167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).