N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide

C15H29NO3 — CID 70661348

IUPACN-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide
SMILESCCC1CCCC(CNC(=O)CCOCCOC)C1
InChIInChI=1S/C15H29NO3/c1-3-13-5-4-6-14(11-13)12-16-15(17)7-8-19-10-9-18-2/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyYPRHQMDXONWIRV-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds9

About N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide

N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide (PubChem CID 70661348) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide
PubChem CID70661348
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide
SMILESCCC1CCCC(CNC(=O)CCOCCOC)C1
InChIInChI=1S/C15H29NO3/c1-3-13-5-4-6-14(11-13)12-16-15(17)7-8-19-10-9-18-2/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyYPRHQMDXONWIRV-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide (CID 70661348) is N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide is CCC1CCCC(CNC(=O)CCOCCOC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide?
The InChIKey is YPRHQMDXONWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-13-5-4-6-14(11-13)12-16-15(17)7-8-19-10-9-18-2/h13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide?
N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide has a molecular weight of 271.40 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)methyl]-3-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 70661348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).