2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C24H31N3O2 — CID 54819279

IUPAC2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-4-19-8-5-7-18(3)23(19)25-16-22(28)26-21-10-6-9-20(15-21)24(29)27-13-11-17(2)12-14-27/h5-10,15,17,25H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyDUXGQXAPINWQHL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54819279) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54819279
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-4-19-8-5-7-18(3)23(19)25-16-22(28)26-21-10-6-9-20(15-21)24(29)27-13-11-17(2)12-14-27/h5-10,15,17,25H,4,11-14,16H2,1-3H3,(H,26,28)
InChIKeyDUXGQXAPINWQHL-UHFFFAOYSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[2-methyl-5-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843134
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54819279) is 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CCc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is DUXGQXAPINWQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-19-8-5-7-18(3)23(19)25-16-22(28)26-21-10-6-9-20(15-21)24(29)27-13-11-17(2)12-14-27/h5-10,15,17,25H,4,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54819279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).