N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide

C25H36N2O5 — CID 14796219

IUPACN-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCCCN(CCC)CCOc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H36N2O5/c1-6-12-27(13-7-2)14-15-32-21-10-8-19(9-11-21)18-26-25(28)20-16-22(29-3)24(31-5)23(17-20)30-4/h8-11,16-17H,6-7,12-15,18H2,1-5H3,(H,26,28)
InChIKeyPVTIAJYJVKLRCJ-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.14
Rot. Bonds14

About N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide

N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 14796219) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID14796219
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC NameN-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCCCN(CCC)CCOc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H36N2O5/c1-6-12-27(13-7-2)14-15-32-21-10-8-19(9-11-21)18-26-25(28)20-16-22(29-3)24(31-5)23(17-20)30-4/h8-11,16-17H,6-7,12-15,18H2,1-5H3,(H,26,28)
InChIKeyPVTIAJYJVKLRCJ-UHFFFAOYSA-N
XLogP4.14
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27332529
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide (CID 14796219) is N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide is CCCN(CCC)CCOc1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is PVTIAJYJVKLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-6-12-27(13-7-2)14-15-32-21-10-8-19(9-11-21)18-26-25(28)20-16-22(29-3)24(31-5)23(17-20)30-4/h8-11,16-17H,6-7,12-15,18H2,1-5H3,(H,26,28).
What are the key properties of N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 444.57 g/mol, XLogP of 4.14, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 14796219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).