N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C25H27N3O5 — CID 55868511

IUPACN-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C25H27N3O5/c1-3-17(2)24(30)27-19-8-4-7-18(13-19)15-26-23(29)16-33-21-10-5-9-20(14-21)28-25(31)22-11-6-12-32-22/h4-14,17H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWAAUNIXVDLADPD-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.21
Rot. Bonds10

About N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55868511) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55868511
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C25H27N3O5/c1-3-17(2)24(30)27-19-8-4-7-18(13-19)15-26-23(29)16-33-21-10-5-9-20(14-21)28-25(31)22-11-6-12-32-22/h4-14,17H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyWAAUNIXVDLADPD-UHFFFAOYSA-N
XLogP4.21
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

2-methyl-N-[3-[[[2-(3-nitrophenoxy)acetyl]amino]methyl]phenyl]butanamide
CID 55795241
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
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
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[3-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 49353218

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55868511) is N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CCC(C)C(=O)Nc1cccc(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is WAAUNIXVDLADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-3-17(2)24(30)27-19-8-4-7-18(13-19)15-26-23(29)16-33-21-10-5-9-20(14-21)28-25(31)22-11-6-12-32-22/h4-14,17H,3,15-16H2,1-2H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55868511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).