N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide

C25H33N3O3 — CID 54841563

IUPACN-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-19(2)14-17-31-23-12-10-22(11-13-23)27-24(29)18-26-21-8-6-20(7-9-21)25(30)28-15-4-3-5-16-28/h6-13,19,26H,3-5,14-18H2,1-2H3,(H,27,29)
InChIKeyOQNXONMMDLQRKW-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.79
Rot. Bonds9

About N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide

N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54841563) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54841563
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-19(2)14-17-31-23-12-10-22(11-13-23)27-24(29)18-26-21-8-6-20(7-9-21)25(30)28-15-4-3-5-16-28/h6-13,19,26H,3-5,14-18H2,1-2H3,(H,27,29)
InChIKeyOQNXONMMDLQRKW-UHFFFAOYSA-N
XLogP4.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]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

N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (CID 54841563) is N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is CC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is OQNXONMMDLQRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(2)14-17-31-23-12-10-22(11-13-23)27-24(29)18-26-21-8-6-20(7-9-21)25(30)28-15-4-3-5-16-28/h6-13,19,26H,3-5,14-18H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).