N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide

C24H32N2O5 — CID 155540978

IUPACN-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C24H32N2O5/c1-6-7-18-8-11-20(12-9-18)31-16-24(28)26(17(2)3)15-23(27)25-19-10-13-21(29-4)22(14-19)30-5/h8-14,17H,6-7,15-16H2,1-5H3,(H,25,27)
InChIKeyRABKQZHGNDHBQH-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.91
Rot. Bonds11

About N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide

N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide (PubChem CID 155540978) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
PubChem CID155540978
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C24H32N2O5/c1-6-7-18-8-11-20(12-9-18)31-16-24(28)26(17(2)3)15-23(27)25-19-10-13-21(29-4)22(14-19)30-5/h8-14,17H,6-7,15-16H2,1-5H3,(H,25,27)
InChIKeyRABKQZHGNDHBQH-UHFFFAOYSA-N
XLogP3.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide (CID 155540978) is N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
The InChIKey is RABKQZHGNDHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-6-7-18-8-11-20(12-9-18)31-16-24(28)26(17(2)3)15-23(27)25-19-10-13-21(29-4)22(14-19)30-5/h8-14,17H,6-7,15-16H2,1-5H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide has a molecular weight of 428.53 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 155540978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).