2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide

C15H28N2O2 — CID 55024598

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(15(18)17-10-6-12-19-2)16-11-9-14-7-4-3-5-8-14/h7,13,16H,3-6,8-12H2,1-2H3,(H,17,18)
InChIKeyZZOCPZVDRHGRRH-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.01
Rot. Bonds9

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 55024598) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide
PubChem CID55024598
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCCC1=CCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(15(18)17-10-6-12-19-2)16-11-9-14-7-4-3-5-8-14/h7,13,16H,3-6,8-12H2,1-2H3,(H,17,18)
InChIKeyZZOCPZVDRHGRRH-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.01
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 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide (CID 55024598) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZZOCPZVDRHGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(15(18)17-10-6-12-19-2)16-11-9-14-7-4-3-5-8-14/h7,13,16H,3-6,8-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 55024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).