N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide

C20H34N2O4 — CID 134394785

IUPACN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide
SMILESCCCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1
InChIInChI=1S/C20H34N2O4/c1-5-11-21-15-18-8-6-7-17(14-18)9-12-26-13-10-19(23)22(2)16-20(24-3)25-4/h6-8,14,20-21H,5,9-13,15-16H2,1-4H3
InChIKeyCSCKLLCXDWKPIH-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.21
Rot. Bonds14

About N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide

N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide (PubChem CID 134394785) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide
PubChem CID134394785
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide
SMILESCCCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1
InChIInChI=1S/C20H34N2O4/c1-5-11-21-15-18-8-6-7-17(14-18)9-12-26-13-10-19(23)22(2)16-20(24-3)25-4/h6-8,14,20-21H,5,9-13,15-16H2,1-4H3
InChIKeyCSCKLLCXDWKPIH-UHFFFAOYSA-N
XLogP2.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide (CID 134394785) is N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide is CCCNCc1cccc(CCOCCC(=O)N(C)CC(OC)OC)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide?
The InChIKey is CSCKLLCXDWKPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-5-11-21-15-18-8-6-7-17(14-18)9-12-26-13-10-19(23)22(2)16-20(24-3)25-4/h6-8,14,20-21H,5,9-13,15-16H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide?
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide has a molecular weight of 366.50 g/mol, XLogP of 2.21, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-(propylaminomethyl)phenyl]ethoxy]propanamide is sourced from PubChem (CID 134394785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).