N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide

C17H26N2O4 — CID 126262180

IUPACN'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCCCOCC)cc1
InChIInChI=1S/C17H26N2O4/c1-3-5-13-23-15-9-7-14(8-10-15)19-17(21)16(20)18-11-6-12-22-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNFJOUASYNIMHMC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.35
Rot. Bonds10

About N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide

N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide (PubChem CID 126262180) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
PubChem CID126262180
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)NCCCOCC)cc1
InChIInChI=1S/C17H26N2O4/c1-3-5-13-23-15-9-7-14(8-10-15)19-17(21)16(20)18-11-6-12-22-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNFJOUASYNIMHMC-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.35
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'}

Analyze N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
[4-[[2-(3-ethoxypropylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108505304
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide (CID 126262180) is N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide is CCCCOc1ccc(NC(=O)C(=O)NCCCOCC)cc1.
What is the InChIKey of N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is NFJOUASYNIMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-5-13-23-15-9-7-14(8-10-15)19-17(21)16(20)18-11-6-12-22-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide?
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 322.41 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 126262180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).