N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide

C23H30N2O4 — CID 155514326

IUPACN-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-6-18-7-11-21(12-8-18)29-16-23(27)25(17(2)3)15-22(26)24-19-9-13-20(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyZBLHAGOYPIOINO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.90
Rot. Bonds10

About N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide

N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide (PubChem CID 155514326) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
PubChem CID155514326
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-6-18-7-11-21(12-8-18)29-16-23(27)25(17(2)3)15-22(26)24-19-9-13-20(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyZBLHAGOYPIOINO-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide (CID 155514326) is N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The InChIKey is ZBLHAGOYPIOINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-6-18-7-11-21(12-8-18)29-16-23(27)25(17(2)3)15-22(26)24-19-9-13-20(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide 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 N-(4-methoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 155514326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).