2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide

C24H32N2O2 — CID 132657062

IUPAC2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-20-7-13-23(14-8-20)28-17-24(27)25-19(3)21-9-11-22(12-10-21)26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyXXICSNDSFIKICD-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.74
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide

2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide (PubChem CID 132657062) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
PubChem CID132657062
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCCc1ccc(OCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-20-7-13-23(14-8-20)28-17-24(27)25-19(3)21-9-11-22(12-10-21)26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyXXICSNDSFIKICD-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042786
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide
CID 125044064
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132654688
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(3-bromophenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125058838
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide (CID 132657062) is 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide is CCc1ccc(OCC(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The InChIKey is XXICSNDSFIKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-20-7-13-23(14-8-20)28-17-24(27)25-19(3)21-9-11-22(12-10-21)26-15-5-6-18(2)16-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide has a molecular weight of 380.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 132657062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).