N-[2-(octan-4-ylamino)ethyl]acetamide

C12H26N2O — CID 102673471

IUPACN-[2-(octan-4-ylamino)ethyl]acetamide
SMILESCCCCC(CCC)NCCNC(C)=O
InChIInChI=1S/C12H26N2O/c1-4-6-8-12(7-5-2)14-10-9-13-11(3)15/h12,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyNYCZHNAZRBAFKI-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.07
Rot. Bonds9

About N-[2-(octan-4-ylamino)ethyl]acetamide

N-[2-(octan-4-ylamino)ethyl]acetamide (PubChem CID 102673471) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(octan-4-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(octan-4-ylamino)ethyl]acetamide
PubChem CID102673471
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(octan-4-ylamino)ethyl]acetamide
SMILESCCCCC(CCC)NCCNC(C)=O
InChIInChI=1S/C12H26N2O/c1-4-6-8-12(7-5-2)14-10-9-13-11(3)15/h12,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyNYCZHNAZRBAFKI-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.07
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-(octan-4-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(octan-4-ylamino)ethyl]acetamide (CID 102673471) is N-[2-(octan-4-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(octan-4-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(octan-4-ylamino)ethyl]acetamide is CCCCC(CCC)NCCNC(C)=O.
What is the InChIKey of N-[2-(octan-4-ylamino)ethyl]acetamide?
The InChIKey is NYCZHNAZRBAFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-8-12(7-5-2)14-10-9-13-11(3)15/h12,14H,4-10H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(octan-4-ylamino)ethyl]acetamide?
N-[2-(octan-4-ylamino)ethyl]acetamide has a molecular weight of 214.35 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(octan-4-ylamino)ethyl]acetamide is sourced from PubChem (CID 102673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).