N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide

C19H23NO2 — CID 95161709

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)cc(OCCNC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-5-6-18(16(4)10-13)19(21)20-7-8-22-17-11-14(2)9-15(3)12-17/h5-6,9-12H,7-8H2,1-4H3,(H,20,21)
InChIKeyXBOHLWJCDXILAA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide (PubChem CID 95161709) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
PubChem CID95161709
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)cc(OCCNC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H23NO2/c1-13-5-6-18(16(4)10-13)19(21)20-7-8-22-17-11-14(2)9-15(3)12-17/h5-6,9-12H,7-8H2,1-4H3,(H,20,21)
InChIKeyXBOHLWJCDXILAA-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.73
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

2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 94617104
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
N-[2-(3,5-dimethylphenoxy)ethyl]thiophene-2-carboxamide
CID 30865920
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide (CID 95161709) is N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide is Cc1cc(C)cc(OCCNC(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide?
The InChIKey is XBOHLWJCDXILAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-5-6-18(16(4)10-13)19(21)20-7-8-22-17-11-14(2)9-15(3)12-17/h5-6,9-12H,7-8H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 95161709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).