3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide

C22H29N3O4 — CID 18288462

IUPAC3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
SMILESCCOc1ccc(OCCNC(=O)CN(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4/c1-2-28-19-8-10-20(11-9-19)29-15-13-24-22(27)17-25(14-12-21(23)26)16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H2,23,26)(H,24,27)
InChIKeyFWSYBBOEXGQBOV-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.96
Rot. Bonds13

About 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide

3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide (PubChem CID 18288462) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
PubChem CID18288462
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
SMILESCCOc1ccc(OCCNC(=O)CN(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H29N3O4/c1-2-28-19-8-10-20(11-9-19)29-15-13-24-22(27)17-25(14-12-21(23)26)16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H2,23,26)(H,24,27)
InChIKeyFWSYBBOEXGQBOV-UHFFFAOYSA-N
XLogP1.96
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(furan-2-ylmethyl)amino]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18271937
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
CID 28642606
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide (CID 18288462) is 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide is CCOc1ccc(OCCNC(=O)CN(CCC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide?
The InChIKey is FWSYBBOEXGQBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-2-28-19-8-10-20(11-9-19)29-15-13-24-22(27)17-25(14-12-21(23)26)16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide?
3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide has a molecular weight of 399.49 g/mol, XLogP of 1.96, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 18288462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).