N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide

C18H21NO4 — CID 113099798

IUPACN-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
SMILESCOc1cccc(OCCNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-21-16-8-5-9-17(14-16)23-13-11-19-18(20)10-12-22-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,19,20)
InChIKeyZLXDDWFAGHCZGV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.66
Rot. Bonds9

About N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide

N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide (PubChem CID 113099798) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
PubChem CID113099798
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
SMILESCOc1cccc(OCCNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-21-16-8-5-9-17(14-16)23-13-11-19-18(20)10-12-22-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,19,20)
InChIKeyZLXDDWFAGHCZGV-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide (CID 113099798) is N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide is COc1cccc(OCCNC(=O)CCOc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide?
The InChIKey is ZLXDDWFAGHCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-16-8-5-9-17(14-16)23-13-11-19-18(20)10-12-22-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide?
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide has a molecular weight of 315.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113099798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).