N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide

C17H20N4O3 — CID 108510519

IUPACN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C17H20N4O3/c1-4-24-14-7-6-11(2)10-13(14)12(3)20-15(22)16(23)21-17-18-8-5-9-19-17/h5-10,12H,4H2,1-3H3,(H,20,22)(H,18,19,21,23)
InChIKeyNFJJFFDHNCMQCQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.00
Rot. Bonds5

About N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide (PubChem CID 108510519) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
PubChem CID108510519
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C17H20N4O3/c1-4-24-14-7-6-11(2)10-13(14)12(3)20-15(22)16(23)21-17-18-8-5-9-19-17/h5-10,12H,4H2,1-3H3,(H,20,22)(H,18,19,21,23)
InChIKeyNFJJFFDHNCMQCQ-UHFFFAOYSA-N
XLogP2.00
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.00
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

N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108847799
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510594
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 108510554
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(2-methylanilino)prop-2-enamide
CID 108847665
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide?
The IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide (CID 108510519) is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide.
What is the SMILES notation for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide?
The canonical SMILES for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ncccn1.
What is the InChIKey of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide?
The InChIKey is NFJJFFDHNCMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-24-14-7-6-11(2)10-13(14)12(3)20-15(22)16(23)21-17-18-8-5-9-19-17/h5-10,12H,4H2,1-3H3,(H,20,22)(H,18,19,21,23).
What are the key properties of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide?
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide has a molecular weight of 328.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide is sourced from PubChem (CID 108510519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).