6-acetamido-N-butan-2-ylhexanamide

C12H24N2O2 — CID 60652726

IUPAC6-acetamido-N-butan-2-ylhexanamide
SMILESCCC(C)NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14-12(16)8-6-5-7-9-13-11(3)15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOUQVJUJHLZIZKB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds8

About 6-acetamido-N-butan-2-ylhexanamide

6-acetamido-N-butan-2-ylhexanamide (PubChem CID 60652726) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-acetamido-N-butan-2-ylhexanamide.

Molecular Properties

Compound Name6-acetamido-N-butan-2-ylhexanamide
PubChem CID60652726
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-acetamido-N-butan-2-ylhexanamide
SMILESCCC(C)NC(=O)CCCCCNC(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14-12(16)8-6-5-7-9-13-11(3)15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOUQVJUJHLZIZKB-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
4-acetamido-N-octan-2-ylbutanamide
CID 90319898
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
2-(6-acetamidohexanoylamino)-3-methylpentanoic acid
CID 43356416
5-acetamido-N-butylpentanamide
CID 123729472
6-acetamido-N-propylhexanamide
CID 60654879
5-acetamido-N-ethylpentanamide
CID 145189248
6-acetamido-N-(3-hydroxypentyl)hexanamide
CID 115703434
2-(6-acetamidohexanoylamino)hexanoic acid
CID 43469673
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-butan-2-ylhexanamide?
The IUPAC name of 6-acetamido-N-butan-2-ylhexanamide (CID 60652726) is 6-acetamido-N-butan-2-ylhexanamide.
What is the SMILES notation for 6-acetamido-N-butan-2-ylhexanamide?
The canonical SMILES for 6-acetamido-N-butan-2-ylhexanamide is CCC(C)NC(=O)CCCCCNC(C)=O.
What is the InChIKey of 6-acetamido-N-butan-2-ylhexanamide?
The InChIKey is OUQVJUJHLZIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(2)14-12(16)8-6-5-7-9-13-11(3)15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 6-acetamido-N-butan-2-ylhexanamide?
6-acetamido-N-butan-2-ylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-butan-2-ylhexanamide is sourced from PubChem (CID 60652726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).