N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C21H18N2O5 — CID 30332762

IUPACN-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=Cc1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c24-13-16-4-1-2-5-18(16)28-14-20(25)22-12-15-7-9-17(10-8-15)23-21(26)19-6-3-11-27-19/h1-11,13H,12,14H2,(H,22,25)(H,23,26)
InChIKeyFMECABSUGFIEAU-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.04
Rot. Bonds8

About N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 30332762) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID30332762
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=Cc1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c24-13-16-4-1-2-5-18(16)28-14-20(25)22-12-15-7-9-17(10-8-15)23-21(26)19-6-3-11-27-19/h1-11,13H,12,14H2,(H,22,25)(H,23,26)
InChIKeyFMECABSUGFIEAU-UHFFFAOYSA-N
XLogP3.04
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-ethyl-3-[[[2-(2-formylphenoxy)acetyl]amino]methyl]benzamide
CID 60513737
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 30332762) is N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide is O=Cc1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FMECABSUGFIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-13-16-4-1-2-5-18(16)28-14-20(25)22-12-15-7-9-17(10-8-15)23-21(26)19-6-3-11-27-19/h1-11,13H,12,14H2,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30332762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).