N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide

C22H33NO5 — CID 59290390

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C=O)c1)C1CCCCC1)OC
InChIInChI=1S/C22H33NO5/c1-26-22(27-2)16-23(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)17-24/h6-8,15,17,20,22H,3-5,9-14,16H2,1-2H3
InChIKeyKJXKNHQTWUOFBT-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.23
Rot. Bonds12

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide (PubChem CID 59290390) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide
PubChem CID59290390
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C=O)c1)C1CCCCC1)OC
InChIInChI=1S/C22H33NO5/c1-26-22(27-2)16-23(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)17-24/h6-8,15,17,20,22H,3-5,9-14,16H2,1-2H3
InChIKeyKJXKNHQTWUOFBT-UHFFFAOYSA-N
XLogP3.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide (CID 59290390) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide is COC(CN(C(=O)CCOCCc1cccc(C=O)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide?
The InChIKey is KJXKNHQTWUOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-26-22(27-2)16-23(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)17-24/h6-8,15,17,20,22H,3-5,9-14,16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide has a molecular weight of 391.51 g/mol, XLogP of 3.23, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-formylphenyl)ethoxy]propanamide is sourced from PubChem (CID 59290390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).