3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

C22H28N2O5 — CID 18206885

IUPAC3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O5/c1-4-28-19-11-8-17(14-20(19)29-5-2)22(26)24-15-21(25)23-13-12-16-6-9-18(27-3)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHYSLAHWPPLDZHO-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.58
Rot. Bonds11

About 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 18206885) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID18206885
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H28N2O5/c1-4-28-19-11-8-17(14-20(19)29-5-2)22(26)24-15-21(25)23-13-12-16-6-9-18(27-3)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHYSLAHWPPLDZHO-UHFFFAOYSA-N
XLogP2.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 43006598
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55857985
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 18206885) is 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HYSLAHWPPLDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-4-28-19-11-8-17(14-20(19)29-5-2)22(26)24-15-21(25)23-13-12-16-6-9-18(27-3)10-7-16/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18206885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).