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

C28H34N2O5 — CID 46064845

IUPACN-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C28H34N2O5/c1-32-17-16-30(20-23-14-15-25(33-2)26(18-23)34-3)21-27(35-24-12-8-5-9-13-24)28(31)29-19-22-10-6-4-7-11-22/h4-15,18,27H,16-17,19-21H2,1-3H3,(H,29,31)
InChIKeyJOEPIEHSHWGZIP-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.92
Rot. Bonds14

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

N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide (PubChem CID 46064845) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
PubChem CID46064845
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC NameN-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
SMILESCOCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C28H34N2O5/c1-32-17-16-30(20-23-14-15-25(33-2)26(18-23)34-3)21-27(35-24-12-8-5-9-13-24)28(31)29-19-22-10-6-4-7-11-22/h4-15,18,27H,16-17,19-21H2,1-3H3,(H,29,31)
InChIKeyJOEPIEHSHWGZIP-UHFFFAOYSA-N
XLogP3.92
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide
CID 92994322
3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-N-(4-methoxyphenyl)-2-phenoxypropanamide
CID 42865089
3-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-(3-fluorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 42863515
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 93160858
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The IUPAC name of N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide (CID 46064845) is N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide.
What is the SMILES notation for N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The canonical SMILES for N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide is COCCN(Cc1ccc(OC)c(OC)c1)CC(Oc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
The InChIKey is JOEPIEHSHWGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-32-17-16-30(20-23-14-15-25(33-2)26(18-23)34-3)21-27(35-24-12-8-5-9-13-24)28(31)29-19-22-10-6-4-7-11-22/h4-15,18,27H,16-17,19-21H2,1-3H3,(H,29,31).
What are the key properties of N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide?
N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide has a molecular weight of 478.59 g/mol, XLogP of 3.92, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3,4-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-2-phenoxypropanamide is sourced from PubChem (CID 46064845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).