2-acetamido-3-phenylpropanamide;ethane

C13H20N2O2 — CID 144643683

IUPAC2-acetamido-3-phenylpropanamide;ethane
SMILESCC.CC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2.C2H6/c1-8(14)13-10(11(12)15)7-9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3,(H2,12,15)(H,13,14);1-2H3
InChIKeyJYRPEBXDEQYZDH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.25
Rot. Bonds4

About 2-acetamido-3-phenylpropanamide;ethane

2-acetamido-3-phenylpropanamide;ethane (PubChem CID 144643683) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-acetamido-3-phenylpropanamide;ethane.

Molecular Properties

Compound Name2-acetamido-3-phenylpropanamide;ethane
PubChem CID144643683
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-acetamido-3-phenylpropanamide;ethane
SMILESCC.CC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2.C2H6/c1-8(14)13-10(11(12)15)7-9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3,(H2,12,15)(H,13,14);1-2H3
InChIKeyJYRPEBXDEQYZDH-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2S)-2-acetamido-3-(4-aminophenyl)propanamide
CID 96583613
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
2-acetamido-4-phenylbutanamide
CID 67451841
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-phenylpropanamide
CID 101137790
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 71450063
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-phenylpropanamide;ethane?
The IUPAC name of 2-acetamido-3-phenylpropanamide;ethane (CID 144643683) is 2-acetamido-3-phenylpropanamide;ethane.
What is the SMILES notation for 2-acetamido-3-phenylpropanamide;ethane?
The canonical SMILES for 2-acetamido-3-phenylpropanamide;ethane is CC.CC(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-acetamido-3-phenylpropanamide;ethane?
The InChIKey is JYRPEBXDEQYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-8(14)13-10(11(12)15)7-9-5-3-2-4-6-9;1-2/h2-6,10H,7H2,1H3,(H2,12,15)(H,13,14);1-2H3.
What are the key properties of 2-acetamido-3-phenylpropanamide;ethane?
2-acetamido-3-phenylpropanamide;ethane has a molecular weight of 236.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-phenylpropanamide;ethane is sourced from PubChem (CID 144643683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).