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

C28H31N3O3 — CID 54841655

IUPACN-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C28H31N3O3/c32-27(21-29-24-14-12-23(13-15-24)28(33)31-17-5-2-6-18-31)30-25-10-7-11-26(20-25)34-19-16-22-8-3-1-4-9-22/h1,3-4,7-15,20,29H,2,5-6,16-19,21H2,(H,30,32)
InChIKeyVTPUGTSXOKUYIU-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.98
Rot. Bonds9

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

N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54841655) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54841655
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C28H31N3O3/c32-27(21-29-24-14-12-23(13-15-24)28(33)31-17-5-2-6-18-31)30-25-10-7-11-26(20-25)34-19-16-22-8-3-1-4-9-22/h1,3-4,7-15,20,29H,2,5-6,16-19,21H2,(H,30,32)
InChIKeyVTPUGTSXOKUYIU-UHFFFAOYSA-N
XLogP4.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(2-ethoxyethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841594
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide (CID 54841655) is N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is VTPUGTSXOKUYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(21-29-24-14-12-23(13-15-24)28(33)31-17-5-2-6-18-31)30-25-10-7-11-26(20-25)34-19-16-22-8-3-1-4-9-22/h1,3-4,7-15,20,29H,2,5-6,16-19,21H2,(H,30,32).
What are the key properties of N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide?
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).