(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide

C18H20N2O3 — CID 41075346

IUPAC(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(21)19-16(14-8-4-3-5-9-14)12-18(22)20-15-10-6-7-11-17(15)23-2/h3-11,16H,12H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyRRGONGCWSNGYHD-INIZCTEOSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds6

About (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide

(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide (PubChem CID 41075346) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
PubChem CID41075346
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(21)19-16(14-8-4-3-5-9-14)12-18(22)20-15-10-6-7-11-17(15)23-2/h3-11,16H,12H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyRRGONGCWSNGYHD-INIZCTEOSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 97232185
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 55888374
(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
CID 2555292
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide (CID 41075346) is (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide is COc1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is RRGONGCWSNGYHD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)19-16(14-8-4-3-5-9-14)12-18(22)20-15-10-6-7-11-17(15)23-2/h3-11,16H,12H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide?
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 41075346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).