2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C19H23NO6 — CID 8934968

IUPAC2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO6/c1-22-13-5-7-14(8-6-13)26-10-9-20-19(21)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyYHKSFLGDYZQPBQ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.53
Rot. Bonds9

About 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide

2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 8934968) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID8934968
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO6/c1-22-13-5-7-14(8-6-13)26-10-9-20-19(21)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeyYHKSFLGDYZQPBQ-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

2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-[2-(3,4-dimethylphenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812660
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 8934968) is 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is YHKSFLGDYZQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-22-13-5-7-14(8-6-13)26-10-9-20-19(21)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-8,11-12H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide 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 2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 8934968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).