N-(2-acetamidoethyl)butanamide

C8H16N2O2 — CID 23523810

IUPACN-(2-acetamidoethyl)butanamide
SMILESCCCC(=O)NCCNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-3-4-8(12)10-6-5-9-7(2)11/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyDYMNCEDZEMWIQO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.04
Rot. Bonds5

About N-(2-acetamidoethyl)butanamide

N-(2-acetamidoethyl)butanamide (PubChem CID 23523810) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(2-acetamidoethyl)butanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)butanamide
PubChem CID23523810
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(2-acetamidoethyl)butanamide
SMILESCCCC(=O)NCCNC(C)=O
InChIInChI=1S/C8H16N2O2/c1-3-4-8(12)10-6-5-9-7(2)11/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyDYMNCEDZEMWIQO-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.04
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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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)butanamide?
The IUPAC name of N-(2-acetamidoethyl)butanamide (CID 23523810) is N-(2-acetamidoethyl)butanamide.
What is the SMILES notation for N-(2-acetamidoethyl)butanamide?
The canonical SMILES for N-(2-acetamidoethyl)butanamide is CCCC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)butanamide?
The InChIKey is DYMNCEDZEMWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-8(12)10-6-5-9-7(2)11/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-acetamidoethyl)butanamide?
N-(2-acetamidoethyl)butanamide has a molecular weight of 172.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)butanamide is sourced from PubChem (CID 23523810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).