[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

C23H29NO5 — CID 55402769

IUPAC[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCc1ccc(CN(C)C(=O)COC(=O)CCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO5/c1-4-18-7-9-19(10-8-18)16-24(2)22(25)17-29-23(26)6-5-15-28-21-13-11-20(27-3)12-14-21/h7-14H,4-6,15-17H2,1-3H3
InChIKeyOOHSIPIGVLMBNV-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.62
Rot. Bonds11

About [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 55402769) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID55402769
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCCc1ccc(CN(C)C(=O)COC(=O)CCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H29NO5/c1-4-18-7-9-19(10-8-18)16-24(2)22(25)17-29-23(26)6-5-15-28-21-13-11-20(27-3)12-14-21/h7-14H,4-6,15-17H2,1-3H3
InChIKeyOOHSIPIGVLMBNV-UHFFFAOYSA-N
XLogP3.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55374003
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659253
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558699
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808331

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (CID 55402769) is [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is CCc1ccc(CN(C)C(=O)COC(=O)CCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is OOHSIPIGVLMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-18-7-9-19(10-8-18)16-24(2)22(25)17-29-23(26)6-5-15-28-21-13-11-20(27-3)12-14-21/h7-14H,4-6,15-17H2,1-3H3.
What are the key properties of [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 399.49 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 55402769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).