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

C24H26N2O4 — CID 24620662

IUPACN-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H26N2O4/c1-24(2,3)19-7-4-5-8-20(19)30-16-22(27)25-15-17-10-12-18(13-11-17)26-23(28)21-9-6-14-29-21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyAHFJHSXMFSYHSL-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.52
Rot. Bonds7

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

N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 24620662) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID24620662
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H26N2O4/c1-24(2,3)19-7-4-5-8-20(19)30-16-22(27)25-15-17-10-12-18(13-11-17)26-23(28)21-9-6-14-29-21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyAHFJHSXMFSYHSL-UHFFFAOYSA-N
XLogP4.52
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30332762
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 31544159
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86875216
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 2531024
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 24620662) is N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide is CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is AHFJHSXMFSYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-24(2,3)19-7-4-5-8-20(19)30-16-22(27)25-15-17-10-12-18(13-11-17)26-23(28)21-9-6-14-29-21/h4-14H,15-16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).