N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide

C13H26N2O2 — CID 2164928

IUPACN-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-8-7-9-15-11(17)13(4,5)6/h7-9H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyRWILRFIHGJCSIP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds4

About N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide

N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide (PubChem CID 2164928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide
PubChem CID2164928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-8-7-9-15-11(17)13(4,5)6/h7-9H2,1-6H3,(H,14,16)(H,15,17)
InChIKeyRWILRFIHGJCSIP-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide (CID 2164928) is N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide?
The InChIKey is RWILRFIHGJCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-8-7-9-15-11(17)13(4,5)6/h7-9H2,1-6H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide?
N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2164928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).