2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide

C26H36N2O5 — CID 133213417

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C26H36N2O5/c1-18(2)13-14-27-26(30)19(3)28(17-20-7-10-22(31-4)11-8-20)25(29)16-21-9-12-23(32-5)24(15-21)33-6/h7-12,15,18-19H,13-14,16-17H2,1-6H3,(H,27,30)
InChIKeyILQDFSQBYQKMJC-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.83
Rot. Bonds12

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 133213417) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide
PubChem CID133213417
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C26H36N2O5/c1-18(2)13-14-27-26(30)19(3)28(17-20-7-10-22(31-4)11-8-20)25(29)16-21-9-12-23(32-5)24(15-21)33-6/h7-12,15,18-19H,13-14,16-17H2,1-6H3,(H,27,30)
InChIKeyILQDFSQBYQKMJC-UHFFFAOYSA-N
XLogP3.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 133213388
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213398
N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213399
2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133149263
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132657470
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719209
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132655175
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704751
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238582

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide (CID 133213417) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide is COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is ILQDFSQBYQKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-18(2)13-14-27-26(30)19(3)28(17-20-7-10-22(31-4)11-8-20)25(29)16-21-9-12-23(32-5)24(15-21)33-6/h7-12,15,18-19H,13-14,16-17H2,1-6H3,(H,27,30).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 456.58 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 133213417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).