N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide

C23H36N4O3 — CID 86906125

IUPACN-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
SMILESCc1ccc(N(CC(=O)N(C)CC(=O)NC(C)(C)C)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-18-9-11-19(12-10-18)27(17-22(30)26-13-7-6-8-14-26)16-21(29)25(5)15-20(28)24-23(2,3)4/h9-12H,6-8,13-17H2,1-5H3,(H,24,28)
InChIKeyVYLMDIUYSLMXRH-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.19
Rot. Bonds7

About N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide (PubChem CID 86906125) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
PubChem CID86906125
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
SMILESCc1ccc(N(CC(=O)N(C)CC(=O)NC(C)(C)C)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-18-9-11-19(12-10-18)27(17-22(30)26-13-7-6-8-14-26)16-21(29)25(5)15-20(28)24-23(2,3)4/h9-12H,6-8,13-17H2,1-5H3,(H,24,28)
InChIKeyVYLMDIUYSLMXRH-UHFFFAOYSA-N
XLogP2.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86906090
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86937011
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
CID 75433703
N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N,4-dimethylbenzamide
CID 9475186
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124
2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 86906158
2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
CID 46299967
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151195
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55926942

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide (CID 86906125) is N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide is Cc1ccc(N(CC(=O)N(C)CC(=O)NC(C)(C)C)CC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide?
The InChIKey is VYLMDIUYSLMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-18-9-11-19(12-10-18)27(17-22(30)26-13-7-6-8-14-26)16-21(29)25(5)15-20(28)24-23(2,3)4/h9-12H,6-8,13-17H2,1-5H3,(H,24,28).
What are the key properties of N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide has a molecular weight of 416.57 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide is sourced from PubChem (CID 86906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).