(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

C20H23FN2O3 — CID 46635623

IUPAC(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCc1ccc(F)c(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H23FN2O3/c1-13(2)19(20(25)22-17-11-14(3)9-10-16(17)21)23-18(24)12-26-15-7-5-4-6-8-15/h4-11,13,19H,12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyZNSFBXMRAWUDKQ-IBGZPJMESA-N
MW358.41 g/mol
LogP3.29
Rot. Bonds7

About (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 46635623) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID46635623
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCc1ccc(F)c(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H23FN2O3/c1-13(2)19(20(25)22-17-11-14(3)9-10-16(17)21)23-18(24)12-26-15-7-5-4-6-8-15/h4-11,13,19H,12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyZNSFBXMRAWUDKQ-IBGZPJMESA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 9042312
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
(2R)-N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 99799396
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
[2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 8848467
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 51938754
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-pyrrol-1-ylphenyl)butanamide
CID 167966694
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-(5-acetamido-2-fluorophenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55551210

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (CID 46635623) is (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is Cc1ccc(F)c(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)c1.
What is the InChIKey of (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is ZNSFBXMRAWUDKQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13(2)19(20(25)22-17-11-14(3)9-10-16(17)21)23-18(24)12-26-15-7-5-4-6-8-15/h4-11,13,19H,12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 358.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 46635623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).