2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide

C23H46N6O2 — CID 58212209

IUPAC2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCN(CC)CCN(CC)CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C23H46N6O2/c1-6-11-24-22(30)20-28-14-9-12-26(7-2)16-17-27(8-3)13-10-15-29(19-18-28)21-23(31)25(4)5/h6H,1,7-21H2,2-5H3,(H,24,30)
InChIKeyMLMXFKUBWFFSFK-UHFFFAOYSA-N
MW438.66 g/mol
LogP0.42
Rot. Bonds8

About 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide

2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide (PubChem CID 58212209) has the molecular formula C23H46N6O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide
PubChem CID58212209
Molecular FormulaC23H46N6O2
Molecular Weight438.66 g/mol
Exact Mass438.37
IUPAC Name2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCN(CC)CCN(CC)CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C23H46N6O2/c1-6-11-24-22(30)20-28-14-9-12-26(7-2)16-17-27(8-3)13-10-15-29(19-18-28)21-23(31)25(4)5/h6H,1,7-21H2,2-5H3,(H,24,30)
InChIKeyMLMXFKUBWFFSFK-UHFFFAOYSA-N
XLogP0.42
TPSA62.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide 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-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide (CID 58212209) is 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCCN(CC)CCN(CC)CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide?
The InChIKey is MLMXFKUBWFFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O2/c1-6-11-24-22(30)20-28-14-9-12-26(7-2)16-17-27(8-3)13-10-15-29(19-18-28)21-23(31)25(4)5/h6H,1,7-21H2,2-5H3,(H,24,30).
What are the key properties of 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide has a molecular weight of 438.66 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)-2-oxoethyl]-8,11-diethyl-1,4,8,11-tetrazacyclotetradec-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 58212209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).