3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide

C14H21FN2O — CID 81366317

IUPAC3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
SMILESCCNC(C)CC(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-16-10(2)8-14(18)17-11(3)12-6-5-7-13(15)9-12/h5-7,9-11,16H,4,8H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyZEVROTHHOJBBJW-DTIOYNMSSA-N
MW252.33 g/mol
LogP2.39
Rot. Bonds6

About 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide

3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide (PubChem CID 81366317) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
PubChem CID81366317
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
SMILESCCNC(C)CC(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-16-10(2)8-14(18)17-11(3)12-6-5-7-13(15)9-12/h5-7,9-11,16H,4,8H2,1-3H3,(H,17,18)/t10?,11-/m0/s1
InChIKeyZEVROTHHOJBBJW-DTIOYNMSSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 55121061
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
N-[1-(3,4-dichlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 62839086
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 81369898

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide (CID 81366317) is 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide is CCNC(C)CC(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
The InChIKey is ZEVROTHHOJBBJW-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-16-10(2)8-14(18)17-11(3)12-6-5-7-13(15)9-12/h5-7,9-11,16H,4,8H2,1-3H3,(H,17,18)/t10?,11-/m0/s1.
What are the key properties of 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide?
3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 81366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).