N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide

C16H28N2O3 — CID 3420120

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-13(2)21-12-6-10-17-15(19)16(20)18-11-9-14-7-4-3-5-8-14/h7,13H,3-6,8-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUMAQOBTWPFKPNW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.92
Rot. Bonds8

About N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide

N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 3420120) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID3420120
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-13(2)21-12-6-10-17-15(19)16(20)18-11-9-14-7-4-3-5-8-14/h7,13H,3-6,8-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUMAQOBTWPFKPNW-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 3420120) is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide is CC(C)OCCCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is UMAQOBTWPFKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)21-12-6-10-17-15(19)16(20)18-11-9-14-7-4-3-5-8-14/h7,13H,3-6,8-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 296.41 g/mol, XLogP of 1.92, 8 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]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 3420120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).