3,3-dimethyl-N,N-di(propan-2-yl)butanamide

C12H25NO — CID 58799221

IUPAC3,3-dimethyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)13(10(3)4)11(14)8-12(5,6)7/h9-10H,8H2,1-7H3
InChIKeyPKMQNBDJOFGMEC-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds3

About 3,3-dimethyl-N,N-di(propan-2-yl)butanamide

3,3-dimethyl-N,N-di(propan-2-yl)butanamide (PubChem CID 58799221) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N,N-di(propan-2-yl)butanamide
PubChem CID58799221
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)13(10(3)4)11(14)8-12(5,6)7/h9-10H,8H2,1-7H3
InChIKeyPKMQNBDJOFGMEC-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N,N-di(propan-2-yl)butanamide (CID 58799221) is 3,3-dimethyl-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)CC(C)(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyl-N,N-di(propan-2-yl)butanamide?
The InChIKey is PKMQNBDJOFGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)13(10(3)4)11(14)8-12(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of 3,3-dimethyl-N,N-di(propan-2-yl)butanamide?
3,3-dimethyl-N,N-di(propan-2-yl)butanamide has a molecular weight of 199.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 58799221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).