N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

C26H28N4O4 — CID 54843208

IUPACN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N4O4/c31-24(29-22-12-8-20(9-13-22)26(33)30-14-2-1-3-15-30)18-27-21-10-6-19(7-11-21)25(32)28-17-23-5-4-16-34-23/h4-13,16,27H,1-3,14-15,17-18H2,(H,28,32)(H,29,31)
InChIKeySGWWEOOXWIIRON-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.89
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54843208) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54843208
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N4O4/c31-24(29-22-12-8-20(9-13-22)26(33)30-14-2-1-3-15-30)18-27-21-10-6-19(7-11-21)25(32)28-17-23-5-4-16-34-23/h4-13,16,27H,1-3,14-15,17-18H2,(H,28,32)(H,29,31)
InChIKeySGWWEOOXWIIRON-UHFFFAOYSA-N
XLogP3.89
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
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
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834364
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54842914
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54841812
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54843208) is N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is SGWWEOOXWIIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-24(29-22-12-8-20(9-13-22)26(33)30-14-2-1-3-15-30)18-27-21-10-6-19(7-11-21)25(32)28-17-23-5-4-16-34-23/h4-13,16,27H,1-3,14-15,17-18H2,(H,28,32)(H,29,31).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 460.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54843208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).