3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C21H25FN2O4 — CID 113119130

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C21H25FN2O4/c1-16(25)24(15-17-5-3-4-6-20(17)22)13-11-21(26)23-12-14-28-19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,23,26)
InChIKeyOMJBSWROPRNZAK-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.77
Rot. Bonds10

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 113119130) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID113119130
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1
InChIInChI=1S/C21H25FN2O4/c1-16(25)24(15-17-5-3-4-6-20(17)22)13-11-21(26)23-12-14-28-19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,23,26)
InChIKeyOMJBSWROPRNZAK-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.77
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

N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 113162145
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 113119130) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCN(Cc2ccccc2F)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is OMJBSWROPRNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-16(25)24(15-17-5-3-4-6-20(17)22)13-11-21(26)23-12-14-28-19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 388.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 113119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).