N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C14H18N2O5 — CID 108514776

IUPACN'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1
InChIInChI=1S/C14H18N2O5/c1-10(18)11-2-4-12(5-3-11)16-14(20)13(19)15-6-8-21-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyKFEDBWQORJHSHG-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.05
Rot. Bonds7

About N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108514776) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108514776
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1
InChIInChI=1S/C14H18N2O5/c1-10(18)11-2-4-12(5-3-11)16-14(20)13(19)15-6-8-21-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyKFEDBWQORJHSHG-UHFFFAOYSA-N
XLogP-0.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295
N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524269
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524350
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108514776) is N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is CC(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1.
What is the InChIKey of N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is KFEDBWQORJHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10(18)11-2-4-12(5-3-11)16-14(20)13(19)15-6-8-21-9-7-17/h2-5,17H,6-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 294.31 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108514776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).