N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide

C26H28N4O4 — CID 3220063

IUPACN'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
SMILESCOc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C26H28N4O4/c1-26(2,3)29-23(31)22(18-11-6-5-7-12-18)30(19-13-10-16-27-17-19)25(33)24(32)28-20-14-8-9-15-21(20)34-4/h5-17,22H,1-4H3,(H,28,32)(H,29,31)
InChIKeyRBSDCPTYLMRWBB-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.72
Rot. Bonds6

About N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide

N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide (PubChem CID 3220063) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
PubChem CID3220063
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide
SMILESCOc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C26H28N4O4/c1-26(2,3)29-23(31)22(18-11-6-5-7-12-18)30(19-13-10-16-27-17-19)25(33)24(32)28-20-14-8-9-15-21(20)34-4/h5-17,22H,1-4H3,(H,28,32)(H,29,31)
InChIKeyRBSDCPTYLMRWBB-UHFFFAOYSA-N
XLogP3.72
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The IUPAC name of N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide (CID 3220063) is N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The canonical SMILES for N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide is COc1ccccc1NC(=O)C(=O)N(c1cccnc1)C(C(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
The InChIKey is RBSDCPTYLMRWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-26(2,3)29-23(31)22(18-11-6-5-7-12-18)30(19-13-10-16-27-17-19)25(33)24(32)28-20-14-8-9-15-21(20)34-4/h5-17,22H,1-4H3,(H,28,32)(H,29,31).
What are the key properties of N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide?
N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide has a molecular weight of 460.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(2-methoxyphenyl)-N'-pyridin-3-yloxamide is sourced from PubChem (CID 3220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).