(2S)-2-acetamido-N-(2-phenylethyl)propanamide

C13H18N2O2 — CID 51647688

IUPAC(2S)-2-acetamido-N-(2-phenylethyl)propanamide
SMILESCC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15-11(2)16)13(17)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyMCDHEYHDZSVVDX-JTQLQIEISA-N
MW234.30 g/mol
LogP0.87
Rot. Bonds5

About (2S)-2-acetamido-N-(2-phenylethyl)propanamide

(2S)-2-acetamido-N-(2-phenylethyl)propanamide (PubChem CID 51647688) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(2-phenylethyl)propanamide
PubChem CID51647688
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-2-acetamido-N-(2-phenylethyl)propanamide
SMILESCC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15-11(2)16)13(17)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyMCDHEYHDZSVVDX-JTQLQIEISA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
CID 87633799
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide
CID 162387217
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(2-phenylethyl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(2-phenylethyl)propanamide (CID 51647688) is (2S)-2-acetamido-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(2-phenylethyl)propanamide is CC(=O)N[C@@H](C)C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-2-acetamido-N-(2-phenylethyl)propanamide?
The InChIKey is MCDHEYHDZSVVDX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(15-11(2)16)13(17)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(2-phenylethyl)propanamide?
(2S)-2-acetamido-N-(2-phenylethyl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 51647688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).