N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide

C14H26N2O2 — CID 54829231

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-9-15-12-14(17)16-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17)
InChIKeyOBTDDLAPHUHVCB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.62
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide (PubChem CID 54829231) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide
PubChem CID54829231
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide
SMILESCOCCCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-9-15-12-14(17)16-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17)
InChIKeyOBTDDLAPHUHVCB-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide (CID 54829231) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide is COCCCNCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide?
The InChIKey is OBTDDLAPHUHVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-11-5-9-15-12-14(17)16-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide is sourced from PubChem (CID 54829231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).