N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide

C18H21NO2 — CID 113099136

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-14-5-3-7-16(11-14)13-18(20)19-9-10-21-17-8-4-6-15(2)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,19,20)
InChIKeyRPLRUSOPONDVRZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide

N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113099136) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113099136
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-14-5-3-7-16(11-14)13-18(20)19-9-10-21-17-8-4-6-15(2)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,19,20)
InChIKeyRPLRUSOPONDVRZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
N-[2-(4-ethoxyphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 30350207
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide (CID 113099136) is N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCOc2cccc(C)c2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is RPLRUSOPONDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-5-3-7-16(11-14)13-18(20)19-9-10-21-17-8-4-6-15(2)12-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide?
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113099136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).