N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide

C27H24N2O5 — CID 26774462

IUPACN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2)cc1
InChIInChI=1S/C27H24N2O5/c1-2-32-23-14-12-21(13-15-23)28-26(30)19-8-10-20(11-9-19)29-27(31)25-17-16-24(34-25)18-33-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyBXZCYRKKHKEHMD-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.76
Rot. Bonds9

About N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 26774462) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID26774462
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2)cc1
InChIInChI=1S/C27H24N2O5/c1-2-32-23-14-12-21(13-15-23)28-26(30)19-8-10-20(11-9-19)29-27(31)25-17-16-24(34-25)18-33-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,28,30)(H,29,31)
InChIKeyBXZCYRKKHKEHMD-UHFFFAOYSA-N
XLogP5.76
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46584687
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 19463936
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 26774462) is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is BXZCYRKKHKEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-2-32-23-14-12-21(13-15-23)28-26(30)19-8-10-20(11-9-19)29-27(31)25-17-16-24(34-25)18-33-22-6-4-3-5-7-22/h3-17H,2,18H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 26774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).