N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

C30H34N4O3 — CID 54838658

IUPACN-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-3-34(27-10-5-4-6-11-27)30(37)24-8-7-9-26(20-24)31-21-28(35)32-25-14-12-23(13-15-25)29(36)33-18-16-22(2)17-19-33/h4-15,20,22,31H,3,16-19,21H2,1-2H3,(H,32,35)
InChIKeyJFEZMKDMUMMKQQ-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.28
Rot. Bonds8

About N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide

N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54838658) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54838658
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1)c1ccccc1
InChIInChI=1S/C30H34N4O3/c1-3-34(27-10-5-4-6-11-27)30(37)24-8-7-9-26(20-24)31-21-28(35)32-25-14-12-23(13-15-25)29(36)33-18-16-22(2)17-19-33/h4-15,20,22,31H,3,16-19,21H2,1-2H3,(H,32,35)
InChIKeyJFEZMKDMUMMKQQ-UHFFFAOYSA-N
XLogP5.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54830775
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide (CID 54838658) is N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is CCN(C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is JFEZMKDMUMMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-3-34(27-10-5-4-6-11-27)30(37)24-8-7-9-26(20-24)31-21-28(35)32-25-14-12-23(13-15-25)29(36)33-18-16-22(2)17-19-33/h4-15,20,22,31H,3,16-19,21H2,1-2H3,(H,32,35).
What are the key properties of N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).