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

C25H27NO5 — CID 9456714

IUPAC3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H27NO5/c1-18-9-11-21(12-10-18)30-14-13-26-25(27)20-15-22(28-2)24(23(16-20)29-3)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyKQBBZVJYMJSTAM-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.40
Rot. Bonds10

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

3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide (PubChem CID 9456714) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
PubChem CID9456714
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H27NO5/c1-18-9-11-21(12-10-18)30-14-13-26-25(27)20-15-22(28-2)24(23(16-20)29-3)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)
InChIKeyKQBBZVJYMJSTAM-UHFFFAOYSA-N
XLogP4.40
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
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
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
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-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide (CID 9456714) is 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is KQBBZVJYMJSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-18-9-11-21(12-10-18)30-14-13-26-25(27)20-15-22(28-2)24(23(16-20)29-3)31-17-19-7-5-4-6-8-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27).
What are the key properties of 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide?
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 421.49 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 9456714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).