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

C21H25N3O4 — CID 108510568

IUPACN-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H25N3O4/c1-5-28-19-10-9-13(2)11-18(19)14(3)22-20(26)21(27)24-17-8-6-7-16(12-17)23-15(4)25/h6-12,14H,5H2,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWVZNWLSAHCGJCD-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.17
Rot. Bonds6

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

N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide (PubChem CID 108510568) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
PubChem CID108510568
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C21H25N3O4/c1-5-28-19-10-9-13(2)11-18(19)14(3)22-20(26)21(27)24-17-8-6-7-16(12-17)23-15(4)25/h6-12,14H,5H2,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWVZNWLSAHCGJCD-UHFFFAOYSA-N
XLogP3.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.17
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'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510594
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
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-(3-propan-2-yloxypropyl)oxamide
CID 108510554
[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
CID 108865505
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
ethyl (3S)-3-[[2-(3-methylanilino)-2-oxoacetyl]amino]butanoate
CID 97334636
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108847799

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide (CID 108510568) is N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The InChIKey is WVZNWLSAHCGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-28-19-10-9-13(2)11-18(19)14(3)22-20(26)21(27)24-17-8-6-7-16(12-17)23-15(4)25/h6-12,14H,5H2,1-4H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide has a molecular weight of 383.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 108510568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).