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

C23H30N2O4 — CID 113121305

IUPAC3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C23H30N2O4/c1-17(2)29-21-11-9-20(10-12-21)24-23(27)14-16-25(18(3)26)15-13-19-7-5-6-8-22(19)28-4/h5-12,17H,13-16H2,1-4H3,(H,24,27)
InChIKeyUNNXCHBNWDYVJL-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.90
Rot. Bonds10

About 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113121305) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113121305
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C23H30N2O4/c1-17(2)29-21-11-9-20(10-12-21)24-23(27)14-16-25(18(3)26)15-13-19-7-5-6-8-22(19)28-4/h5-12,17H,13-16H2,1-4H3,(H,24,27)
InChIKeyUNNXCHBNWDYVJL-UHFFFAOYSA-N
XLogP3.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 113121305) is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide is COc1ccccc1CCN(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is UNNXCHBNWDYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(2)29-21-11-9-20(10-12-21)24-23(27)14-16-25(18(3)26)15-13-19-7-5-6-8-22(19)28-4/h5-12,17H,13-16H2,1-4H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113121305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).