N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C20H24FN3O4 — CID 18164688

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCOc1ccc(OCCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4/c1-2-27-17-7-9-18(10-8-17)28-12-11-22-19(25)14-24-20(26)23-13-15-3-5-16(21)6-4-15/h3-10H,2,11-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyXNPYTARYFGAJBQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.22
Rot. Bonds10

About N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 18164688) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID18164688
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCOc1ccc(OCCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4/c1-2-27-17-7-9-18(10-8-17)28-12-11-22-19(25)14-24-20(26)23-13-15-3-5-16(21)6-4-15/h3-10H,2,11-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyXNPYTARYFGAJBQ-UHFFFAOYSA-N
XLogP2.22
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 55794559
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 18164688) is N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CCOc1ccc(OCCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is XNPYTARYFGAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-2-27-17-7-9-18(10-8-17)28-12-11-22-19(25)14-24-20(26)23-13-15-3-5-16(21)6-4-15/h3-10H,2,11-14H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 18164688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).