N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide

C26H30N2O2 — CID 162645921

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C(C)C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-7-21-11-13-25(14-12-21)30-19-26(29)28(20(2)3)18-22-8-5-9-23(16-22)24-10-6-15-27-17-24/h5-6,8-17,20H,4,7,18-19H2,1-3H3
InChIKeyKLYXWCSCAZCHTI-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.52
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide (PubChem CID 162645921) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide
PubChem CID162645921
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C(C)C)cc1
InChIInChI=1S/C26H30N2O2/c1-4-7-21-11-13-25(14-12-21)30-19-26(29)28(20(2)3)18-22-8-5-9-23(16-22)24-10-6-15-27-17-24/h5-6,8-17,20H,4,7,18-19H2,1-3H3
InChIKeyKLYXWCSCAZCHTI-UHFFFAOYSA-N
XLogP5.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide (CID 162645921) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide?
The InChIKey is KLYXWCSCAZCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-4-7-21-11-13-25(14-12-21)30-19-26(29)28(20(2)3)18-22-8-5-9-23(16-22)24-10-6-15-27-17-24/h5-6,8-17,20H,4,7,18-19H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyridin-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 162645921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).