3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide

C25H27NO6 — CID 41443073

IUPAC3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(OCCNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H27NO6/c1-28-20-9-11-21(12-10-20)31-14-13-26-25(27)19-15-22(29-2)24(23(16-19)30-3)32-17-18-7-5-4-6-8-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyWMZVDDUATMJWKR-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.10
Rot. Bonds11

About 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide

3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide (PubChem CID 41443073) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
PubChem CID41443073
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(OCCNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H27NO6/c1-28-20-9-11-21(12-10-20)31-14-13-26-25(27)19-15-22(29-2)24(23(16-19)30-3)32-17-18-7-5-4-6-8-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyWMZVDDUATMJWKR-UHFFFAOYSA-N
XLogP4.10
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.10
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

3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide (CID 41443073) is 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide is COc1ccc(OCCNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is WMZVDDUATMJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-28-20-9-11-21(12-10-20)31-14-13-26-25(27)19-15-22(29-2)24(23(16-19)30-3)32-17-18-7-5-4-6-8-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27).
What are the key properties of 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide?
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 437.49 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 41443073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).