3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide

C22H30N2O4 — CID 100535556

IUPAC3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN(C)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H30N2O4/c1-5-27-20-13-8-17(16-21(20)28-6-2)22(25)23-14-7-15-24(3)18-9-11-19(26-4)12-10-18/h8-13,16H,5-7,14-15H2,1-4H3,(H,23,25)
InChIKeyUHBYCCVGIGJYMX-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.75
Rot. Bonds11

About 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide

3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide (PubChem CID 100535556) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
PubChem CID100535556
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCN(C)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H30N2O4/c1-5-27-20-13-8-17(16-21(20)28-6-2)22(25)23-14-7-15-24(3)18-9-11-19(26-4)12-10-18/h8-13,16H,5-7,14-15H2,1-4H3,(H,23,25)
InChIKeyUHBYCCVGIGJYMX-UHFFFAOYSA-N
XLogP3.75
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
CID 41278240
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
2-iodo-N-[3-(4-methoxy-N-methylanilino)propyl]-4-methylbenzamide
CID 100527983
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide (CID 100535556) is 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide is CCOc1ccc(C(=O)NCCCN(C)c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide?
The InChIKey is UHBYCCVGIGJYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-5-27-20-13-8-17(16-21(20)28-6-2)22(25)23-14-7-15-24(3)18-9-11-19(26-4)12-10-18/h8-13,16H,5-7,14-15H2,1-4H3,(H,23,25).
What are the key properties of 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide?
3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide has a molecular weight of 386.49 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide is sourced from PubChem (CID 100535556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).