N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide

C19H23NO6 — CID 113101923

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(OC)c2OC)c1
InChIInChI=1S/C19H23NO6/c1-22-14-10-13(11-15(12-14)23-2)19(21)20-8-9-26-17-7-5-6-16(24-3)18(17)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21)
InChIKeyOEVUAPOONRSCMQ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide

N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113101923) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
PubChem CID113101923
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(OC)c2OC)c1
InChIInChI=1S/C19H23NO6/c1-22-14-10-13(11-15(12-14)23-2)19(21)20-8-9-26-17-7-5-6-16(24-3)18(17)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21)
InChIKeyOEVUAPOONRSCMQ-UHFFFAOYSA-N
XLogP2.53
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
N-[2-(2-benzylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2225987

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide (CID 113101923) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCOc2cccc(OC)c2OC)c1.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is OEVUAPOONRSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-22-14-10-13(11-15(12-14)23-2)19(21)20-8-9-26-17-7-5-6-16(24-3)18(17)25-4/h5-7,10-12H,8-9H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 361.39 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113101923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).