N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C17H26N2O4 — CID 108510678

IUPACN-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NC(C)(C)CO
InChIInChI=1S/C17H26N2O4/c1-6-23-14-8-7-11(2)9-13(14)12(3)18-15(21)16(22)19-17(4,5)10-20/h7-9,12,20H,6,10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyGKGMGZMBMQVTNE-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds6

About N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108510678) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108510678
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NC(C)(C)CO
InChIInChI=1S/C17H26N2O4/c1-6-23-14-8-7-11(2)9-13(14)12(3)18-15(21)16(22)19-17(4,5)10-20/h7-9,12,20H,6,10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyGKGMGZMBMQVTNE-UHFFFAOYSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 108510554
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
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
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510594
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(2-methylanilino)prop-2-enamide
CID 108847665
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108847799
(Z)-3-(2-amino-5-methylanilino)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 108847963

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108510678) is N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)NC(C)(C)CO.
What is the InChIKey of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is GKGMGZMBMQVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-23-14-8-7-11(2)9-13(14)12(3)18-15(21)16(22)19-17(4,5)10-20/h7-9,12,20H,6,10H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108510678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).