2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide

C20H23N3O3 — CID 15923651

IUPAC2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)
InChIKeyMRIDWVSVNKEVEJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.95
Rot. Bonds8

About 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide

2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide (PubChem CID 15923651) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
PubChem CID15923651
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26)
InChIKeyMRIDWVSVNKEVEJ-UHFFFAOYSA-N
XLogP0.95
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
2-[(2-acetamido-3-phenylpropanoyl)amino]-6-aminohexanamide
CID 23276388
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-4-methylpentanamide
CID 71575926
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 71450063
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 10483007
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide?
The IUPAC name of 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide (CID 15923651) is 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide is CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide?
The InChIKey is MRIDWVSVNKEVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(24)22-18(13-16-10-6-3-7-11-16)20(26)23-17(19(21)25)12-15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3,(H2,21,25)(H,22,24)(H,23,26).
What are the key properties of 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide?
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 15923651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).