2-[(2-phenylacetyl)amino]propanediamide

C11H13N3O3 — CID 122164047

IUPAC2-[(2-phenylacetyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H13N3O3/c12-10(16)9(11(13)17)14-8(15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,16)(H2,13,17)(H,14,15)
InChIKeyASCNUFZBMWMGMM-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.32
Rot. Bonds5

About 2-[(2-phenylacetyl)amino]propanediamide

2-[(2-phenylacetyl)amino]propanediamide (PubChem CID 122164047) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]propanediamide
PubChem CID122164047
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[(2-phenylacetyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H13N3O3/c12-10(16)9(11(13)17)14-8(15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,16)(H2,13,17)(H,14,15)
InChIKeyASCNUFZBMWMGMM-UHFFFAOYSA-N
XLogP-1.32
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
2-(3,3-diphenylpropanoylamino)propanediamide
CID 31062875
2-phenoxy-2-[(2-phenylacetyl)amino]acetamide
CID 54258999
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
sodium (4S)-5-amino-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 23678918
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
CID 117066138
CID 68604008
CID 68604008
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
methyl (2S)-3-amino-2-[(2-phenylacetyl)amino]propanoate
CID 54366760

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]propanediamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]propanediamide (CID 122164047) is 2-[(2-phenylacetyl)amino]propanediamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]propanediamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]propanediamide is NC(=O)C(NC(=O)Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-phenylacetyl)amino]propanediamide?
The InChIKey is ASCNUFZBMWMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-10(16)9(11(13)17)14-8(15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,16)(H2,13,17)(H,14,15).
What are the key properties of 2-[(2-phenylacetyl)amino]propanediamide?
2-[(2-phenylacetyl)amino]propanediamide has a molecular weight of 235.24 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]propanediamide is sourced from PubChem (CID 122164047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).