3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide

C18H33N3O2 — CID 134394468

IUPAC3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide
SMILESCCCN(CCNC)C(=O)CCOC1CC=CC=C1CNCC
InChIInChI=1S/C18H33N3O2/c1-4-12-21(13-11-19-3)18(22)10-14-23-17-9-7-6-8-16(17)15-20-5-2/h6-8,17,19-20H,4-5,9-15H2,1-3H3
InChIKeyZLWWMCBDACEZQQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.72
Rot. Bonds12

About 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide

3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide (PubChem CID 134394468) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide
PubChem CID134394468
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide
SMILESCCCN(CCNC)C(=O)CCOC1CC=CC=C1CNCC
InChIInChI=1S/C18H33N3O2/c1-4-12-21(13-11-19-3)18(22)10-14-23-17-9-7-6-8-16(17)15-20-5-2/h6-8,17,19-20H,4-5,9-15H2,1-3H3
InChIKeyZLWWMCBDACEZQQ-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide 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-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide?
The IUPAC name of 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide (CID 134394468) is 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide?
The canonical SMILES for 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide is CCCN(CCNC)C(=O)CCOC1CC=CC=C1CNCC.
What is the InChIKey of 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide?
The InChIKey is ZLWWMCBDACEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-12-21(13-11-19-3)18(22)10-14-23-17-9-7-6-8-16(17)15-20-5-2/h6-8,17,19-20H,4-5,9-15H2,1-3H3.
What are the key properties of 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide?
3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide has a molecular weight of 323.48 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)cyclohexa-2,4-dien-1-yl]oxy-N-[2-(methylamino)ethyl]-N-propylpropanamide is sourced from PubChem (CID 134394468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).