N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C27H30N4O4 — CID 54842914

IUPACN-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC1CCN(C(=O)c2cccc(NCC(=O)Nc3ccc(C(=O)NCc4ccco4)cc3)c2)CC1
InChIInChI=1S/C27H30N4O4/c1-19-11-13-31(14-12-19)27(34)21-4-2-5-23(16-21)28-18-25(32)30-22-9-7-20(8-10-22)26(33)29-17-24-6-3-15-35-24/h2-10,15-16,19,28H,11-14,17-18H2,1H3,(H,29,33)(H,30,32)
InChIKeyQBDDZKXLWXEZGH-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.13
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54842914) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54842914
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC1CCN(C(=O)c2cccc(NCC(=O)Nc3ccc(C(=O)NCc4ccco4)cc3)c2)CC1
InChIInChI=1S/C27H30N4O4/c1-19-11-13-31(14-12-19)27(34)21-4-2-5-23(16-21)28-18-25(32)30-22-9-7-20(8-10-22)26(33)29-17-24-6-3-15-35-24/h2-10,15-16,19,28H,11-14,17-18H2,1H3,(H,29,33)(H,30,32)
InChIKeyQBDDZKXLWXEZGH-UHFFFAOYSA-N
XLogP4.13
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834364
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-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54842914) is N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CC1CCN(C(=O)c2cccc(NCC(=O)Nc3ccc(C(=O)NCc4ccco4)cc3)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is QBDDZKXLWXEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-11-13-31(14-12-19)27(34)21-4-2-5-23(16-21)28-18-25(32)30-22-9-7-20(8-10-22)26(33)29-17-24-6-3-15-35-24/h2-10,15-16,19,28H,11-14,17-18H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.13, 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-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54842914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).