N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C23H28N2O3 — CID 56513328

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1cc(C)cc(OCCNC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C23H28N2O3/c1-17-14-18(2)16-20(15-17)28-13-11-24-23(27)22(19-8-4-3-5-9-19)25-12-7-6-10-21(25)26/h3-5,8-9,14-16,22H,6-7,10-13H2,1-2H3,(H,24,27)
InChIKeyWVPZMWWLBSHREC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56513328) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56513328
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1cc(C)cc(OCCNC(=O)C(c2ccccc2)N2CCCCC2=O)c1
InChIInChI=1S/C23H28N2O3/c1-17-14-18(2)16-20(15-17)28-13-11-24-23(27)22(19-8-4-3-5-9-19)25-12-7-6-10-21(25)26/h3-5,8-9,14-16,22H,6-7,10-13H2,1-2H3,(H,24,27)
InChIKeyWVPZMWWLBSHREC-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 56505315
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513467
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505727
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56513328) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is Cc1cc(C)cc(OCCNC(=O)C(c2ccccc2)N2CCCCC2=O)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is WVPZMWWLBSHREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-14-18(2)16-20(15-17)28-13-11-24-23(27)22(19-8-4-3-5-9-19)25-12-7-6-10-21(25)26/h3-5,8-9,14-16,22H,6-7,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56513328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).