2,4-dimethoxy-N-(3-phenoxypropyl)benzamide

C18H21NO4 — CID 51256264

IUPAC2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-15-9-10-16(17(13-15)22-2)18(20)19-11-6-12-23-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChIKeyXMCWIIBCCTULTK-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.90
Rot. Bonds8

About 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide

2,4-dimethoxy-N-(3-phenoxypropyl)benzamide (PubChem CID 51256264) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
PubChem CID51256264
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-21-15-9-10-16(17(13-15)22-2)18(20)19-11-6-12-23-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChIKeyXMCWIIBCCTULTK-UHFFFAOYSA-N
XLogP2.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.90
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-(3-methylphenoxy)propyl]benzamide
CID 27039874
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
CID 69329506
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
CID 89281710
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide (CID 51256264) is 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide is COc1ccc(C(=O)NCCCOc2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide?
The InChIKey is XMCWIIBCCTULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-9-10-16(17(13-15)22-2)18(20)19-11-6-12-23-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dimethoxy-N-(3-phenoxypropyl)benzamide?
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.90, 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-phenoxypropyl)benzamide is sourced from PubChem (CID 51256264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).