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

C29H33N3O3 — CID 54825491

IUPAC2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCCc2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C29H33N3O3/c33-28(31-26-13-7-12-24(21-26)29(34)32-18-5-2-6-19-32)22-30-25-14-16-27(17-15-25)35-20-8-11-23-9-3-1-4-10-23/h1,3-4,7,9-10,12-17,21,30H,2,5-6,8,11,18-20,22H2,(H,31,33)
InChIKeyCEFKFSKAVPRPGP-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.37
Rot. Bonds10

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

2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54825491) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54825491
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(OCCCc2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C29H33N3O3/c33-28(31-26-13-7-12-24(21-26)29(34)32-18-5-2-6-19-32)22-30-25-14-16-27(17-15-25)35-20-8-11-23-9-3-1-4-10-23/h1,3-4,7,9-10,12-17,21,30H,2,5-6,8,11,18-20,22H2,(H,31,33)
InChIKeyCEFKFSKAVPRPGP-UHFFFAOYSA-N
XLogP5.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]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-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54825491) is 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is O=C(CNc1ccc(OCCCc2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is CEFKFSKAVPRPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-28(31-26-13-7-12-24(21-26)29(34)32-18-5-2-6-19-32)22-30-25-14-16-27(17-15-25)35-20-8-11-23-9-3-1-4-10-23/h1,3-4,7,9-10,12-17,21,30H,2,5-6,8,11,18-20,22H2,(H,31,33).
What are the key properties of 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54825491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).