(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide

C26H29N3O3 — CID 165021666

IUPAC(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(OC3CCOC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-19-7-9-20(10-8-19)13-15-27-25(21-5-3-2-4-6-21)26(30)29-24-12-11-22(17-28-24)32-23-14-16-31-18-23/h2-12,17,23,25,27H,13-16,18H2,1H3,(H,28,29,30)/t23?,25-/m1/s1
InChIKeyUYKDYSGHKJKRAT-XSWBTSGESA-N
MW431.54 g/mol
LogP4.07
Rot. Bonds9

About (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide

(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide (PubChem CID 165021666) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
PubChem CID165021666
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(OC3CCOC3)cn2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-19-7-9-20(10-8-19)13-15-27-25(21-5-3-2-4-6-21)26(30)29-24-12-11-22(17-28-24)32-23-14-16-31-18-23/h2-12,17,23,25,27H,13-16,18H2,1H3,(H,28,29,30)/t23?,25-/m1/s1
InChIKeyUYKDYSGHKJKRAT-XSWBTSGESA-N
XLogP4.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide (CID 165021666) is (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide is Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(OC3CCOC3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is UYKDYSGHKJKRAT-XSWBTSGESA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19-7-9-20(10-8-19)13-15-27-25(21-5-3-2-4-6-21)26(30)29-24-12-11-22(17-28-24)32-23-14-16-31-18-23/h2-12,17,23,25,27H,13-16,18H2,1H3,(H,28,29,30)/t23?,25-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 431.54 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 165021666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).