N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide

C14H26N2O3 — CID 108505284

IUPACN-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-3-19-10-6-9-15-13(17)14(18)16-12-8-5-4-7-11(12)2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBDQHQTUEBNIOAM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds6

About N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide

N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide (PubChem CID 108505284) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide
PubChem CID108505284
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-3-19-10-6-9-15-13(17)14(18)16-12-8-5-4-7-11(12)2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBDQHQTUEBNIOAM-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
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'}

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-N'-(2-methylcyclohexyl)oxamide
CID 108524266
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide?
The IUPAC name of N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide (CID 108505284) is N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide is CCOCCCNC(=O)C(=O)NC1CCCCC1C.
What is the InChIKey of N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide?
The InChIKey is BDQHQTUEBNIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-19-10-6-9-15-13(17)14(18)16-12-8-5-4-7-11(12)2/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide?
N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide has a molecular weight of 270.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide is sourced from PubChem (CID 108505284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).