N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C22H22N2O4 — CID 46546691

IUPACN-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)16(2)23-21(25)14-28-19-6-3-5-18(13-19)24-22(26)20-7-4-12-27-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAPUFQSPDJBLNRT-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.10
Rot. Bonds7

About N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46546691) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID46546691
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)16(2)23-21(25)14-28-19-6-3-5-18(13-19)24-22(26)20-7-4-12-27-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAPUFQSPDJBLNRT-UHFFFAOYSA-N
XLogP4.10
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46546691) is N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is Cc1ccc(C(C)NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is APUFQSPDJBLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)16(2)23-21(25)14-28-19-6-3-5-18(13-19)24-22(26)20-7-4-12-27-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46546691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).