N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide

C17H27N3O3 — CID 108514450

IUPACN-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-20(5-2)13-7-12-18-16(21)17(22)19-14-8-10-15(11-9-14)23-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDTYWFHSCFSGOQD-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.87
Rot. Bonds9

About N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide

N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 108514450) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID108514450
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-20(5-2)13-7-12-18-16(21)17(22)19-14-8-10-15(11-9-14)23-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDTYWFHSCFSGOQD-UHFFFAOYSA-N
XLogP1.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.87
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

1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide (CID 108514450) is N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is DTYWFHSCFSGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-20(5-2)13-7-12-18-16(21)17(22)19-14-8-10-15(11-9-14)23-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide?
N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 321.42 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 108514450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).