N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide

C13H19NO5 — CID 60654650

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOCCO)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-17-10-3-4-11(12(9-10)18-2)13(16)14-5-7-19-8-6-15/h3-4,9,15H,5-8H2,1-2H3,(H,14,16)
InChIKeyOYPLVKSTJKBFCP-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.44
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide

N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide (PubChem CID 60654650) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
PubChem CID60654650
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOCCO)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-17-10-3-4-11(12(9-10)18-2)13(16)14-5-7-19-8-6-15/h3-4,9,15H,5-8H2,1-2H3,(H,14,16)
InChIKeyOYPLVKSTJKBFCP-UHFFFAOYSA-N
XLogP0.44
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
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-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide (CID 60654650) is N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCOCCO)c(OC)c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is OYPLVKSTJKBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-17-10-3-4-11(12(9-10)18-2)13(16)14-5-7-19-8-6-15/h3-4,9,15H,5-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide?
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 269.30 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 60654650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).