(2S)-2,6-diacetamido-N-methylhexanamide

C11H21N3O3 — CID 91820722

IUPAC(2S)-2,6-diacetamido-N-methylhexanamide
SMILESCNC(=O)[C@H](CCCCNC(C)=O)NC(C)=O
InChIInChI=1S/C11H21N3O3/c1-8(15)13-7-5-4-6-10(11(17)12-3)14-9(2)16/h10H,4-7H2,1-3H3,(H,12,17)(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyRWBIXQSLRNBRKV-JTQLQIEISA-N
MW243.31 g/mol
LogP-0.46
Rot. Bonds7

About (2S)-2,6-diacetamido-N-methylhexanamide

(2S)-2,6-diacetamido-N-methylhexanamide (PubChem CID 91820722) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2,6-diacetamido-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diacetamido-N-methylhexanamide
PubChem CID91820722
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2,6-diacetamido-N-methylhexanamide
SMILESCNC(=O)[C@H](CCCCNC(C)=O)NC(C)=O
InChIInChI=1S/C11H21N3O3/c1-8(15)13-7-5-4-6-10(11(17)12-3)14-9(2)16/h10H,4-7H2,1-3H3,(H,12,17)(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyRWBIXQSLRNBRKV-JTQLQIEISA-N
XLogP-0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2S)-2,6-diacetamido-N-methylhexanamide?
The IUPAC name of (2S)-2,6-diacetamido-N-methylhexanamide (CID 91820722) is (2S)-2,6-diacetamido-N-methylhexanamide.
What is the SMILES notation for (2S)-2,6-diacetamido-N-methylhexanamide?
The canonical SMILES for (2S)-2,6-diacetamido-N-methylhexanamide is CNC(=O)[C@H](CCCCNC(C)=O)NC(C)=O.
What is the InChIKey of (2S)-2,6-diacetamido-N-methylhexanamide?
The InChIKey is RWBIXQSLRNBRKV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(15)13-7-5-4-6-10(11(17)12-3)14-9(2)16/h10H,4-7H2,1-3H3,(H,12,17)(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-2,6-diacetamido-N-methylhexanamide?
(2S)-2,6-diacetamido-N-methylhexanamide has a molecular weight of 243.31 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diacetamido-N-methylhexanamide is sourced from PubChem (CID 91820722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).