N-(3-ethoxypropyl)cyclohexanecarboxamide

C12H23NO2 — CID 19916601

IUPACN-(3-ethoxypropyl)cyclohexanecarboxamide
SMILESCCOCCCNC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-15-10-6-9-13-12(14)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyXLNBEIUQKFRWRF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds6

About N-(3-ethoxypropyl)cyclohexanecarboxamide

N-(3-ethoxypropyl)cyclohexanecarboxamide (PubChem CID 19916601) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)cyclohexanecarboxamide
PubChem CID19916601
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3-ethoxypropyl)cyclohexanecarboxamide
SMILESCCOCCCNC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-15-10-6-9-13-12(14)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyXLNBEIUQKFRWRF-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxypropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-ethoxypropyl)cyclohexanecarboxamide (CID 19916601) is N-(3-ethoxypropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-ethoxypropyl)cyclohexanecarboxamide is CCOCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-ethoxypropyl)cyclohexanecarboxamide?
The InChIKey is XLNBEIUQKFRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-15-10-6-9-13-12(14)11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N-(3-ethoxypropyl)cyclohexanecarboxamide?
N-(3-ethoxypropyl)cyclohexanecarboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)cyclohexanecarboxamide is sourced from PubChem (CID 19916601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).