N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide

C11H23NO — CID 58468946

IUPACN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
SMILESCC(=O)N(C)[C@@H](C(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10(11(4,5)6)12(7)9(3)13/h8,10H,1-7H3/t10-/m0/s1
InChIKeyCXTYJCFKVRBESY-JTQLQIEISA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide

N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide (PubChem CID 58468946) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
PubChem CID58468946
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide
SMILESCC(=O)N(C)[C@@H](C(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10(11(4,5)6)12(7)9(3)13/h8,10H,1-7H3/t10-/m0/s1
InChIKeyCXTYJCFKVRBESY-JTQLQIEISA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide (CID 58468946) is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide is CC(=O)N(C)[C@@H](C(C)C)C(C)(C)C.
What is the InChIKey of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide?
The InChIKey is CXTYJCFKVRBESY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10(11(4,5)6)12(7)9(3)13/h8,10H,1-7H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide?
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide has a molecular weight of 185.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]acetamide is sourced from PubChem (CID 58468946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).