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

C29H36N2O7 — CID 92994322

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H36N2O7/c1-33-16-15-31(19-21-11-13-24(34-2)26(17-21)36-4)20-28(38-23-9-7-6-8-10-23)29(32)30-22-12-14-25(35-3)27(18-22)37-5/h6-14,17-18,28H,15-16,19-20H2,1-5H3,(H,30,32)/t28-/m1/s1
InChIKeySGQXGGLVNXMXJF-MUUNZHRXSA-N
MW524.61 g/mol
LogP4.26
Rot. Bonds15

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

(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide (PubChem CID 92994322) has the molecular formula C29H36N2O7 and a molecular weight of 524.61 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
PubChem CID92994322
Molecular FormulaC29H36N2O7
Molecular Weight524.61 g/mol
Exact Mass524.25
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C29H36N2O7/c1-33-16-15-31(19-21-11-13-24(34-2)26(17-21)36-4)20-28(38-23-9-7-6-8-10-23)29(32)30-22-12-14-25(35-3)27(18-22)37-5/h6-14,17-18,28H,15-16,19-20H2,1-5H3,(H,30,32)/t28-/m1/s1
InChIKeySGQXGGLVNXMXJF-MUUNZHRXSA-N
XLogP4.26
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
CID 42865089
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
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide (CID 92994322) is (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide is COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The InChIKey is SGQXGGLVNXMXJF-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H36N2O7/c1-33-16-15-31(19-21-11-13-24(34-2)26(17-21)36-4)20-28(38-23-9-7-6-8-10-23)29(32)30-22-12-14-25(35-3)27(18-22)37-5/h6-14,17-18,28H,15-16,19-20H2,1-5H3,(H,30,32)/t28-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide has a molecular weight of 524.61 g/mol, XLogP of 4.26, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide is sourced from PubChem (CID 92994322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).