(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide

C18H21FN2O3 — CID 95155906

IUPAC(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
SMILESCCO[C@@H](CC)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-3-16(23-4-2)18(22)21-12-13-9-10-20-17(11-13)24-15-7-5-14(19)6-8-15/h5-11,16H,3-4,12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyFTVRETKATOJCKZ-INIZCTEOSA-N
MW332.38 g/mol
LogP3.44
Rot. Bonds8

About (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide

(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide (PubChem CID 95155906) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
PubChem CID95155906
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
SMILESCCO[C@@H](CC)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-3-16(23-4-2)18(22)21-12-13-9-10-20-17(11-13)24-15-7-5-14(19)6-8-15/h5-11,16H,3-4,12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyFTVRETKATOJCKZ-INIZCTEOSA-N
XLogP3.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155907
(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
CID 95326110
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
1-[(2-ethoxyphenyl)methyl]-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine
CID 111881307
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001503
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide (CID 95155906) is (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide is CCO[C@@H](CC)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide?
The InChIKey is FTVRETKATOJCKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-3-16(23-4-2)18(22)21-12-13-9-10-20-17(11-13)24-15-7-5-14(19)6-8-15/h5-11,16H,3-4,12H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide?
(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide has a molecular weight of 332.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide is sourced from PubChem (CID 95155906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).