2-(2-phenylethyl)propanediamide

C11H14N2O2 — CID 66660020

IUPAC2-(2-phenylethyl)propanediamide
SMILESNC(=O)C(CCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2/c12-10(14)9(11(13)15)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeySTEHUTPTKQGTOT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.21
Rot. Bonds5

About 2-(2-phenylethyl)propanediamide

2-(2-phenylethyl)propanediamide (PubChem CID 66660020) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2-phenylethyl)propanediamide.

Molecular Properties

Compound Name2-(2-phenylethyl)propanediamide
PubChem CID66660020
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(2-phenylethyl)propanediamide
SMILESNC(=O)C(CCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2/c12-10(14)9(11(13)15)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeySTEHUTPTKQGTOT-UHFFFAOYSA-N
XLogP0.21
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethyl)propanedioate
CID 21465102
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
3-oxo-2-[2-(4-phenylphenyl)ethyl]butanethioamide
CID 88840780
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-acetamido-4-phenylbutanamide
CID 67451841
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
2-phenylethyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370832
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)propanediamide?
The IUPAC name of 2-(2-phenylethyl)propanediamide (CID 66660020) is 2-(2-phenylethyl)propanediamide.
What is the SMILES notation for 2-(2-phenylethyl)propanediamide?
The canonical SMILES for 2-(2-phenylethyl)propanediamide is NC(=O)C(CCc1ccccc1)C(N)=O.
What is the InChIKey of 2-(2-phenylethyl)propanediamide?
The InChIKey is STEHUTPTKQGTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10(14)9(11(13)15)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15).
What are the key properties of 2-(2-phenylethyl)propanediamide?
2-(2-phenylethyl)propanediamide has a molecular weight of 206.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)propanediamide is sourced from PubChem (CID 66660020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).