2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide

C19H23NO4 — CID 27039874

IUPAC2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCOc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-14-6-4-7-16(12-14)24-11-5-10-20-19(21)17-9-8-15(22-2)13-18(17)23-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21)
InChIKeyMLCQUUGHMKRUED-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.21
Rot. Bonds8

About 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide

2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide (PubChem CID 27039874) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
PubChem CID27039874
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCOc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-14-6-4-7-16(12-14)24-11-5-10-20-19(21)17-9-8-15(22-2)13-18(17)23-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21)
InChIKeyMLCQUUGHMKRUED-UHFFFAOYSA-N
XLogP3.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide (CID 27039874) is 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide is COc1ccc(C(=O)NCCCOc2cccc(C)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
The InChIKey is MLCQUUGHMKRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14-6-4-7-16(12-14)24-11-5-10-20-19(21)17-9-8-15(22-2)13-18(17)23-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide?
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 27039874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).