3-methyl-N,2-di(propan-2-yl)pentanamide

C12H25NO — CID 18714541

IUPAC3-methyl-N,2-di(propan-2-yl)pentanamide
SMILESCCC(C)C(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14)13-9(4)5/h8-11H,7H2,1-6H3,(H,13,14)
InChIKeySKKQONQYCKQWCJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.83
Rot. Bonds5

About 3-methyl-N,2-di(propan-2-yl)pentanamide

3-methyl-N,2-di(propan-2-yl)pentanamide (PubChem CID 18714541) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-N,2-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name3-methyl-N,2-di(propan-2-yl)pentanamide
PubChem CID18714541
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-N,2-di(propan-2-yl)pentanamide
SMILESCCC(C)C(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14)13-9(4)5/h8-11H,7H2,1-6H3,(H,13,14)
InChIKeySKKQONQYCKQWCJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,2-di(propan-2-yl)pentanamide?
The IUPAC name of 3-methyl-N,2-di(propan-2-yl)pentanamide (CID 18714541) is 3-methyl-N,2-di(propan-2-yl)pentanamide.
What is the SMILES notation for 3-methyl-N,2-di(propan-2-yl)pentanamide?
The canonical SMILES for 3-methyl-N,2-di(propan-2-yl)pentanamide is CCC(C)C(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N,2-di(propan-2-yl)pentanamide?
The InChIKey is SKKQONQYCKQWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-10(6)11(8(2)3)12(14)13-9(4)5/h8-11H,7H2,1-6H3,(H,13,14).
What are the key properties of 3-methyl-N,2-di(propan-2-yl)pentanamide?
3-methyl-N,2-di(propan-2-yl)pentanamide has a molecular weight of 199.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,2-di(propan-2-yl)pentanamide is sourced from PubChem (CID 18714541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).