2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C23H29N3O2 — CID 54813209

IUPAC2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-16-8-10-26(11-9-16)23(28)19-4-6-20(7-5-19)25-22(27)15-24-21-13-17(2)12-18(3)14-21/h4-7,12-14,16,24H,8-11,15H2,1-3H3,(H,25,27)
InChIKeyQZBTYEUCXCAKFG-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.23
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54813209) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54813209
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-16-8-10-26(11-9-16)23(28)19-4-6-20(7-5-19)25-22(27)15-24-21-13-17(2)12-18(3)14-21/h4-7,12-14,16,24H,8-11,15H2,1-3H3,(H,25,27)
InChIKeyQZBTYEUCXCAKFG-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816396
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54813209) is 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is Cc1cc(C)cc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is QZBTYEUCXCAKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-8-10-26(11-9-16)23(28)19-4-6-20(7-5-19)25-22(27)15-24-21-13-17(2)12-18(3)14-21/h4-7,12-14,16,24H,8-11,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54813209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).