2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide

C23H30N2O2 — CID 125042786

IUPAC2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-17-6-4-8-22(14-17)27-16-23(26)24-19(3)20-9-11-21(12-10-20)25-13-5-7-18(2)15-25/h4,6,8-12,14,18-19H,5,7,13,15-16H2,1-3H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyMPCZDEFUQZCZQI-RBUKOAKNSA-N
MW366.51 g/mol
LogP4.49
Rot. Bonds6

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

2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide (PubChem CID 125042786) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
PubChem CID125042786
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
SMILESCc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-17-6-4-8-22(14-17)27-16-23(26)24-19(3)20-9-11-21(12-10-20)25-13-5-7-18(2)15-25/h4,6,8-12,14,18-19H,5,7,13,15-16H2,1-3H3,(H,24,26)/t18-,19+/m0/s1
InChIKeyMPCZDEFUQZCZQI-RBUKOAKNSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.49
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-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
2-(3-bromophenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125058838
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 132661788

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide (CID 125042786) is 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide is Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide?
The InChIKey is MPCZDEFUQZCZQI-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17-6-4-8-22(14-17)27-16-23(26)24-19(3)20-9-11-21(12-10-20)25-13-5-7-18(2)15-25/h4,6,8-12,14,18-19H,5,7,13,15-16H2,1-3H3,(H,24,26)/t18-,19+/m0/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide?
2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 125042786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).