3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide

C14H26N2O4 — CID 177358218

IUPAC3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide
SMILESNC(=O)CCOCC1CCC(COCCNC=O)CC1
InChIInChI=1S/C14H26N2O4/c15-14(18)5-7-19-9-12-1-3-13(4-2-12)10-20-8-6-16-11-17/h11-13H,1-10H2,(H2,15,18)(H,16,17)
InChIKeyGJYNZOQXINUYQR-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.45
Rot. Bonds11

About 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide

3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide (PubChem CID 177358218) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide.

Molecular Properties

Compound Name3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide
PubChem CID177358218
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide
SMILESNC(=O)CCOCC1CCC(COCCNC=O)CC1
InChIInChI=1S/C14H26N2O4/c15-14(18)5-7-19-9-12-1-3-13(4-2-12)10-20-8-6-16-11-17/h11-13H,1-10H2,(H2,15,18)(H,16,17)
InChIKeyGJYNZOQXINUYQR-UHFFFAOYSA-N
XLogP0.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide 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 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide?
The IUPAC name of 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide (CID 177358218) is 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide.
What is the SMILES notation for 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide?
The canonical SMILES for 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide is NC(=O)CCOCC1CCC(COCCNC=O)CC1.
What is the InChIKey of 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide?
The InChIKey is GJYNZOQXINUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c15-14(18)5-7-19-9-12-1-3-13(4-2-12)10-20-8-6-16-11-17/h11-13H,1-10H2,(H2,15,18)(H,16,17).
What are the key properties of 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide?
3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide has a molecular weight of 286.37 g/mol, XLogP of 0.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide is sourced from PubChem (CID 177358218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).