2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide

C13H17N3O3 — CID 3128469

IUPAC2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide
SMILESCC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H17N3O3/c1-9(17)15-8-12(18)16-11(13(14)19)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyHAUIOEUWKQAETB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.66
Rot. Bonds6

About 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide

2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide (PubChem CID 3128469) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide
PubChem CID3128469
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide
SMILESCC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H17N3O3/c1-9(17)15-8-12(18)16-11(13(14)19)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,14,19)(H,15,17)(H,16,18)
InChIKeyHAUIOEUWKQAETB-UHFFFAOYSA-N
XLogP-0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide (CID 3128469) is 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide is CC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide?
The InChIKey is HAUIOEUWKQAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(17)15-8-12(18)16-11(13(14)19)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,14,19)(H,15,17)(H,16,18).
What are the key properties of 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide?
2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide has a molecular weight of 263.30 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 3128469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).