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

C30H34N4O3 — CID 54830775

IUPACN-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C30H34N4O3/c1-22-15-17-34(18-16-22)30(37)24-11-13-26(14-12-24)31-20-28(35)32-27-10-6-9-25(19-27)29(36)33(2)21-23-7-4-3-5-8-23/h3-14,19,22,31H,15-18,20-21H2,1-2H3,(H,32,35)
InChIKeyKEJGQMYBQXOLHL-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.88
Rot. Bonds8

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

N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54830775) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54830775
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C30H34N4O3/c1-22-15-17-34(18-16-22)30(37)24-11-13-26(14-12-24)31-20-28(35)32-27-10-6-9-25(19-27)29(36)33(2)21-23-7-4-3-5-8-23/h3-14,19,22,31H,15-18,20-21H2,1-2H3,(H,32,35)
InChIKeyKEJGQMYBQXOLHL-UHFFFAOYSA-N
XLogP4.88
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841183
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838658
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54830775) is N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(C(=O)N(C)Cc4ccccc4)c3)cc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is KEJGQMYBQXOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-22-15-17-34(18-16-22)30(37)24-11-13-26(14-12-24)31-20-28(35)32-27-10-6-9-25(19-27)29(36)33(2)21-23-7-4-3-5-8-23/h3-14,19,22,31H,15-18,20-21H2,1-2H3,(H,32,35).
What are the key properties of N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 498.63 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54830775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).