(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide

C20H25FN2O2 — CID 9494892

IUPAC(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-19-11-7-17(8-12-19)14-23(3)15(2)20(24)22-13-16-5-9-18(21)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyLMXBVYOKEGCDKS-HNNXBMFYSA-N
MW344.43 g/mol
LogP3.36
Rot. Bonds8

About (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide

(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 9494892) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID9494892
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-19-11-7-17(8-12-19)14-23(3)15(2)20(24)22-13-16-5-9-18(21)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyLMXBVYOKEGCDKS-HNNXBMFYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8515292
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
(2R)-N-[(4-fluorophenyl)methyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 41380466
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9037230
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide (CID 9494892) is (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide is CCOc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is LMXBVYOKEGCDKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-25-19-11-7-17(8-12-19)14-23(3)15(2)20(24)22-13-16-5-9-18(21)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide?
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 344.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 9494892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).