3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide

C28H34N2O6 — CID 42865089

IUPAC3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H34N2O6/c1-32-17-16-30(19-21-10-15-25(34-3)26(18-21)35-4)20-27(36-24-8-6-5-7-9-24)28(31)29-22-11-13-23(33-2)14-12-22/h5-15,18,27H,16-17,19-20H2,1-4H3,(H,29,31)
InChIKeyJWQKLDFYAFWKKA-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.25
Rot. Bonds14

About 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide

3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide (PubChem CID 42865089) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
PubChem CID42865089
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H34N2O6/c1-32-17-16-30(19-21-10-15-25(34-3)26(18-21)35-4)20-27(36-24-8-6-5-7-9-24)28(31)29-22-11-13-23(33-2)14-12-22/h5-15,18,27H,16-17,19-20H2,1-4H3,(H,29,31)
InChIKeyJWQKLDFYAFWKKA-UHFFFAOYSA-N
XLogP4.25
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide with MolForge

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 92994322
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 46064845
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
3-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-(3-fluorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 42863515
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4277311
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 3706770
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide (CID 42865089) is 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide is COCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide?
The InChIKey is JWQKLDFYAFWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-32-17-16-30(19-21-10-15-25(34-3)26(18-21)35-4)20-27(36-24-8-6-5-7-9-24)28(31)29-22-11-13-23(33-2)14-12-22/h5-15,18,27H,16-17,19-20H2,1-4H3,(H,29,31).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide?
3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide has a molecular weight of 494.59 g/mol, XLogP of 4.25, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 42865089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).