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

C18H23NO4 — CID 19448238

IUPACN-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H23NO4/c1-13(2)14-4-6-15(7-5-14)22-12-16-8-9-17(23-16)18(20)19-10-11-21-3/h4-9,13H,10-12H2,1-3H3,(H,19,20)
InChIKeyCIZRRPKFINGEBY-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.36
Rot. Bonds8

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

N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448238) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19448238
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC NameN-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H23NO4/c1-13(2)14-4-6-15(7-5-14)22-12-16-8-9-17(23-16)18(20)19-10-11-21-3/h4-9,13H,10-12H2,1-3H3,(H,19,20)
InChIKeyCIZRRPKFINGEBY-UHFFFAOYSA-N
XLogP3.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 19465699
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448179
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-[(4-ethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19446639

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448238) is N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is COCCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is CIZRRPKFINGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13(2)14-4-6-15(7-5-14)22-12-16-8-9-17(23-16)18(20)19-10-11-21-3/h4-9,13H,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).