N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

C25H26N4O5 — CID 54834364

IUPACN-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N4O5/c30-23(28-20-8-6-18(7-9-20)25(32)29-10-13-33-14-11-29)17-26-21-4-1-3-19(15-21)24(31)27-16-22-5-2-12-34-22/h1-9,12,15,26H,10-11,13-14,16-17H2,(H,27,31)(H,28,30)
InChIKeyOSMJNPLXAMZYSV-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.73
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide

N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834364) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834364
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N4O5/c30-23(28-20-8-6-18(7-9-20)25(32)29-10-13-33-14-11-29)17-26-21-4-1-3-19(15-21)24(31)27-16-22-5-2-12-34-22/h1-9,12,15,26H,10-11,13-14,16-17H2,(H,27,31)(H,28,30)
InChIKeyOSMJNPLXAMZYSV-UHFFFAOYSA-N
XLogP2.73
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841123
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834609
N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54842914
N-(furan-2-ylmethyl)-3-[(2-morpholin-4-yl-2-oxoethyl)amino]benzamide
CID 54834688
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54834364) is N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is O=C(CNc1cccc(C(=O)NCc2ccco2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is OSMJNPLXAMZYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c30-23(28-20-8-6-18(7-9-20)25(32)29-10-13-33-14-11-29)17-26-21-4-1-3-19(15-21)24(31)27-16-22-5-2-12-34-22/h1-9,12,15,26H,10-11,13-14,16-17H2,(H,27,31)(H,28,30).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 462.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).