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

C18H21NO3 — CID 94051659

IUPACN-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO3/c1-13-7-8-15(11-14(13)2)18(20)19-9-10-22-17-6-4-5-16(12-17)21-3/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyNDAIIGXJLIQDGS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds6

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

N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide (PubChem CID 94051659) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
PubChem CID94051659
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO3/c1-13-7-8-15(11-14(13)2)18(20)19-9-10-22-17-6-4-5-16(12-17)21-3/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyNDAIIGXJLIQDGS-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
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

N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide (CID 94051659) is N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide is COc1cccc(OCCNC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide?
The InChIKey is NDAIIGXJLIQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-7-8-15(11-14(13)2)18(20)19-9-10-22-17-6-4-5-16(12-17)21-3/h4-8,11-12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide?
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 94051659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).