N,N-ditert-butyl-2,2-dimethylpropanamide

C13H27NO — CID 58613636

IUPACN,N-ditert-butyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)10(15)14(12(4,5)6)13(7,8)9/h1-9H3
InChIKeyATCYNBLMPWMGOZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds

About N,N-ditert-butyl-2,2-dimethylpropanamide

N,N-ditert-butyl-2,2-dimethylpropanamide (PubChem CID 58613636) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-ditert-butyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN,N-ditert-butyl-2,2-dimethylpropanamide
PubChem CID58613636
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-ditert-butyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)10(15)14(12(4,5)6)13(7,8)9/h1-9H3
InChIKeyATCYNBLMPWMGOZ-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2,2-dimethylpropanamide?
The IUPAC name of N,N-ditert-butyl-2,2-dimethylpropanamide (CID 58613636) is N,N-ditert-butyl-2,2-dimethylpropanamide.
What is the SMILES notation for N,N-ditert-butyl-2,2-dimethylpropanamide?
The canonical SMILES for N,N-ditert-butyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-2,2-dimethylpropanamide?
The InChIKey is ATCYNBLMPWMGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)10(15)14(12(4,5)6)13(7,8)9/h1-9H3.
What are the key properties of N,N-ditert-butyl-2,2-dimethylpropanamide?
N,N-ditert-butyl-2,2-dimethylpropanamide has a molecular weight of 213.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2,2-dimethylpropanamide is sourced from PubChem (CID 58613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).