N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C27H32N2O5 — CID 46535133

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OCc3ccncc3)c(OCC)c2)cc1OCC
InChIInChI=1S/C27H32N2O5/c1-4-31-23-9-7-20(17-25(23)32-5-2)13-16-29-27(30)22-8-10-24(26(18-22)33-6-3)34-19-21-11-14-28-15-12-21/h7-12,14-15,17-18H,4-6,13,16,19H2,1-3H3,(H,29,30)
InChIKeyDLITYCNZMMBSOL-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.83
Rot. Bonds13

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 46535133) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID46535133
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(OCc3ccncc3)c(OCC)c2)cc1OCC
InChIInChI=1S/C27H32N2O5/c1-4-31-23-9-7-20(17-25(23)32-5-2)13-16-29-27(30)22-8-10-24(26(18-22)33-6-3)34-19-21-11-14-28-15-12-21/h7-12,14-15,17-18H,4-6,13,16,19H2,1-3H3,(H,29,30)
InChIKeyDLITYCNZMMBSOL-UHFFFAOYSA-N
XLogP4.83
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide 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-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46480603
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 46535133) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1ccc(CCNC(=O)c2ccc(OCc3ccncc3)c(OCC)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is DLITYCNZMMBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-4-31-23-9-7-20(17-25(23)32-5-2)13-16-29-27(30)22-8-10-24(26(18-22)33-6-3)34-19-21-11-14-28-15-12-21/h7-12,14-15,17-18H,4-6,13,16,19H2,1-3H3,(H,29,30).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 464.56 g/mol, XLogP of 4.83, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 46535133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).