2,2-diethyl-N'-(2-phenylethyl)propanediamide

C15H22N2O2 — CID 70140992

IUPAC2,2-diethyl-N'-(2-phenylethyl)propanediamide
SMILESCCC(CC)(C(N)=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,13(16)18)14(19)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyNYPIKPDKOLXTGQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.64
Rot. Bonds7

About 2,2-diethyl-N'-(2-phenylethyl)propanediamide

2,2-diethyl-N'-(2-phenylethyl)propanediamide (PubChem CID 70140992) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-diethyl-N'-(2-phenylethyl)propanediamide.

Molecular Properties

Compound Name2,2-diethyl-N'-(2-phenylethyl)propanediamide
PubChem CID70140992
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,2-diethyl-N'-(2-phenylethyl)propanediamide
SMILESCCC(CC)(C(N)=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-3-15(4-2,13(16)18)14(19)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyNYPIKPDKOLXTGQ-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.64
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-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
[(E)-3-amino-4-oxo-4-(2-phenylethylamino)but-2-enoyl]azanide;iridium;methanethiol
CID 162387833
2-phenylethylcarbamothioic S-acid
CID 11116669
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
[2-cyano-2-(2-phenylethylcarbamoyl)butyl] acetate;ethane
CID 143830955
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
(2S)-2-hydroxy-2-methyl-3-nitro-N-(2-phenylethyl)propanamide
CID 164680327

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(2-phenylethyl)propanediamide?
The IUPAC name of 2,2-diethyl-N'-(2-phenylethyl)propanediamide (CID 70140992) is 2,2-diethyl-N'-(2-phenylethyl)propanediamide.
What is the SMILES notation for 2,2-diethyl-N'-(2-phenylethyl)propanediamide?
The canonical SMILES for 2,2-diethyl-N'-(2-phenylethyl)propanediamide is CCC(CC)(C(N)=O)C(=O)NCCc1ccccc1.
What is the InChIKey of 2,2-diethyl-N'-(2-phenylethyl)propanediamide?
The InChIKey is NYPIKPDKOLXTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(4-2,13(16)18)14(19)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2,2-diethyl-N'-(2-phenylethyl)propanediamide?
2,2-diethyl-N'-(2-phenylethyl)propanediamide has a molecular weight of 262.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(2-phenylethyl)propanediamide is sourced from PubChem (CID 70140992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).