2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C21H25FN2O3 — CID 2108971

IUPAC2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccccc1OCC(=O)N(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-17-7-5-6-8-19(17)27-15-21(26)24(4-2)14-20(25)23-13-16-9-11-18(22)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyRSQVYCHSSTZOEW-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.93
Rot. Bonds9

About 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2108971) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2108971
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCc1ccccc1OCC(=O)N(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-17-7-5-6-8-19(17)27-15-21(26)24(4-2)14-20(25)23-13-16-9-11-18(22)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyRSQVYCHSSTZOEW-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
D-Phenylalanine, (2S)-N-((2R)-2-(2-(3-aminopropyl)phenoxy)propyl)-2-cyclopropylglycyl-N-methyl-D-alanyl-4-fluoro-, (3->1)-lactam
CID 11526696
Priralfinamide
CID 5745207
Beflubutamid
CID 6451159
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
N-benzyl-2-phenoxyacetamide
CID 309669
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(6S,9R,12R)-6-cyclopropyl-21-fluoro-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
CID 11526745
(6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 56926682
(6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-4,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 56926893
(3S,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 56926894
N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 2108971) is 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCc1ccccc1OCC(=O)N(CC)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RSQVYCHSSTZOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-17-7-5-6-8-19(17)27-15-21(26)24(4-2)14-20(25)23-13-16-9-11-18(22)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-ethylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2108971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).