2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide

C22H28N2O4 — CID 113164905

IUPAC2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccc(OC(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-21-11-7-19(8-12-21)23-22(26)15-24(17(3)25)14-13-18-5-9-20(27-4)10-6-18/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyLXDNBXGLFCLFJY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.51
Rot. Bonds9

About 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide

2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113164905) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113164905
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccc(OC(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16(2)28-21-11-7-19(8-12-21)23-22(26)15-24(17(3)25)14-13-18-5-9-20(27-4)10-6-18/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyLXDNBXGLFCLFJY-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113164923
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide (CID 113164905) is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide is COc1ccc(CCN(CC(=O)Nc2ccc(OC(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is LXDNBXGLFCLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)28-21-11-7-19(8-12-21)23-22(26)15-24(17(3)25)14-13-18-5-9-20(27-4)10-6-18/h5-12,16H,13-15H2,1-4H3,(H,23,26).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113164905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).