N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide

C18H27FN2O2 — CID 113055638

IUPACN-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(CCc1ccccc1F)C(C)=O
InChIInChI=1S/C18H27FN2O2/c1-4-15(5-2)18(23)20-11-13-21(14(3)22)12-10-16-8-6-7-9-17(16)19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyAWDOIHFRQHPJEV-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.77
Rot. Bonds9

About N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide

N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide (PubChem CID 113055638) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
PubChem CID113055638
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(CCc1ccccc1F)C(C)=O
InChIInChI=1S/C18H27FN2O2/c1-4-15(5-2)18(23)20-11-13-21(14(3)22)12-10-16-8-6-7-9-17(16)19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyAWDOIHFRQHPJEV-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 113164141
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053081
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055717
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113120928
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide (CID 113055638) is N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(CCc1ccccc1F)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide?
The InChIKey is AWDOIHFRQHPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-4-15(5-2)18(23)20-11-13-21(14(3)22)12-10-16-8-6-7-9-17(16)19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide?
N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide has a molecular weight of 322.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113055638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).