N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide

C26H36FN3O4 — CID 10205637

IUPACN-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCOCCN(CCOC)c1cc(F)cc(OCc2ccc(N(C)C(=O)N3CCCC3C)cc2)c1
InChIInChI=1S/C26H36FN3O4/c1-20-6-5-11-30(20)26(31)28(2)23-9-7-21(8-10-23)19-34-25-17-22(27)16-24(18-25)29(12-14-32-3)13-15-33-4/h7-10,16-18,20H,5-6,11-15,19H2,1-4H3
InChIKeyFYWHMULCLGFQRX-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.54
Rot. Bonds11

About N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide

N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 10205637) has the molecular formula C26H36FN3O4 and a molecular weight of 473.59 g/mol. Its IUPAC name is N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
PubChem CID10205637
Molecular FormulaC26H36FN3O4
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC NameN-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCOCCN(CCOC)c1cc(F)cc(OCc2ccc(N(C)C(=O)N3CCCC3C)cc2)c1
InChIInChI=1S/C26H36FN3O4/c1-20-6-5-11-30(20)26(31)28(2)23-9-7-21(8-10-23)19-34-25-17-22(27)16-24(18-25)29(12-14-32-3)13-15-33-4/h7-10,16-18,20H,5-6,11-15,19H2,1-4H3
InChIKeyFYWHMULCLGFQRX-UHFFFAOYSA-N
XLogP4.54
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide 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 N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide (CID 10205637) is N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide is COCCN(CCOC)c1cc(F)cc(OCc2ccc(N(C)C(=O)N3CCCC3C)cc2)c1.
What is the InChIKey of N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is FYWHMULCLGFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O4/c1-20-6-5-11-30(20)26(31)28(2)23-9-7-21(8-10-23)19-34-25-17-22(27)16-24(18-25)29(12-14-32-3)13-15-33-4/h7-10,16-18,20H,5-6,11-15,19H2,1-4H3.
What are the key properties of N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[bis(2-methoxyethyl)amino]-5-fluorophenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 10205637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).