2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium

C20H27N2O4+ — CID 25273209

IUPAC2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium
SMILESCOc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1
InChIKeyQQQIECGTIMUVDS-UHFFFAOYSA-O
MW359.45 g/mol
LogP1.16
Rot. Bonds9

About 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium

2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium (PubChem CID 25273209) has the molecular formula C20H27N2O4+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium
PubChem CID25273209
Molecular FormulaC20H27N2O4+
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium
SMILESCOc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1
InChIKeyQQQIECGTIMUVDS-UHFFFAOYSA-O
XLogP1.16
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium?
The IUPAC name of 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium (CID 25273209) is 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium.
What is the SMILES notation for 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium?
The canonical SMILES for 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium is COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1OC.
What is the InChIKey of 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium?
The InChIKey is QQQIECGTIMUVDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)/p+1.
What are the key properties of 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium?
2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium has a molecular weight of 359.45 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethyl-dimethylazanium is sourced from PubChem (CID 25273209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).