N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide

C24H26N2O5 — CID 39228981

IUPACN-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H26N2O5/c1-2-29-20-10-3-4-11-21(20)30-15-7-13-23(27)25-17-18-8-5-9-19(16-18)26-24(28)22-12-6-14-31-22/h3-6,8-12,14,16H,2,7,13,15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIMWKJMCXPMEWJB-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.41
Rot. Bonds11

About N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 39228981) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID39228981
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H26N2O5/c1-2-29-20-10-3-4-11-21(20)30-15-7-13-23(27)25-17-18-8-5-9-19(16-18)26-24(28)22-12-6-14-31-22/h3-6,8-12,14,16H,2,7,13,15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyIMWKJMCXPMEWJB-UHFFFAOYSA-N
XLogP4.41
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 32708292
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide (CID 39228981) is N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide is CCOc1ccccc1OCCCC(=O)NCc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is IMWKJMCXPMEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-2-29-20-10-3-4-11-21(20)30-15-7-13-23(27)25-17-18-8-5-9-19(16-18)26-24(28)22-12-6-14-31-22/h3-6,8-12,14,16H,2,7,13,15,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39228981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).