N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide

C26H34N4O3 — CID 54834474

IUPACN-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)NC(C)(C)C)cc3)c2)CC1
InChIInChI=1S/C26H34N4O3/c1-18-12-14-30(15-13-18)25(33)20-6-5-7-22(16-20)28-23(31)17-27-21-10-8-19(9-11-21)24(32)29-26(2,3)4/h5-11,16,18,27H,12-15,17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyVHWROPRWUGYDGT-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.14
Rot. Bonds6

About N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834474) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834474
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)NC(C)(C)C)cc3)c2)CC1
InChIInChI=1S/C26H34N4O3/c1-18-12-14-30(15-13-18)25(33)20-6-5-7-22(16-20)28-23(31)17-27-21-10-8-19(9-11-21)24(32)29-26(2,3)4/h5-11,16,18,27H,12-15,17H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyVHWROPRWUGYDGT-UHFFFAOYSA-N
XLogP4.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide 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

N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
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
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836359
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54834474) is N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)NC(C)(C)C)cc3)c2)CC1.
What is the InChIKey of N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VHWROPRWUGYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18-12-14-30(15-13-18)25(33)20-6-5-7-22(16-20)28-23(31)17-27-21-10-8-19(9-11-21)24(32)29-26(2,3)4/h5-11,16,18,27H,12-15,17H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).