N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide

C19H30N2O4 — CID 108510554

IUPACN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C19H30N2O4/c1-6-24-17-9-8-14(4)12-16(17)15(5)21-19(23)18(22)20-10-7-11-25-13(2)3/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyATBNZYAKTCIKAO-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.50
Rot. Bonds9

About N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 108510554) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID108510554
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C19H30N2O4/c1-6-24-17-9-8-14(4)12-16(17)15(5)21-19(23)18(22)20-10-7-11-25-13(2)3/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyATBNZYAKTCIKAO-UHFFFAOYSA-N
XLogP2.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628
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'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
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
(Z)-2-cyano-3-[3-(dimethylamino)propylamino]-N-[1-(2-ethoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 108847834
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 108510554) is N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)NCCCOC(C)C.
What is the InChIKey of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is ATBNZYAKTCIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-24-17-9-8-14(4)12-16(17)15(5)21-19(23)18(22)20-10-7-11-25-13(2)3/h8-9,12-13,15H,6-7,10-11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 350.46 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 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-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 108510554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).