2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide

C16H31NO3 — CID 20724645

IUPAC2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC1CC(C(C)C)CCC1C(=O)NCCOCCO
InChIInChI=1S/C16H31NO3/c1-4-13-11-14(12(2)3)5-6-15(13)16(19)17-7-9-20-10-8-18/h12-15,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyWATWVRCBIBBMIJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.21
Rot. Bonds8

About 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide

2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 20724645) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID20724645
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCCC1CC(C(C)C)CCC1C(=O)NCCOCCO
InChIInChI=1S/C16H31NO3/c1-4-13-11-14(12(2)3)5-6-15(13)16(19)17-7-9-20-10-8-18/h12-15,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyWATWVRCBIBBMIJ-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 20724645) is 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide is CCC1CC(C(C)C)CCC1C(=O)NCCOCCO.
What is the InChIKey of 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is WATWVRCBIBBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-13-11-14(12(2)3)5-6-15(13)16(19)17-7-9-20-10-8-18/h12-15,18H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide?
2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 20724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).