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

C17H27N3O2 — CID 108522284

IUPACN-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-14-8-10-15(11-9-14)19-17(22)16(21)18-12-7-13-20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUGHRMCAOUUISJK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.04
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide (PubChem CID 108522284) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
PubChem CID108522284
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-14-8-10-15(11-9-14)19-17(22)16(21)18-12-7-13-20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUGHRMCAOUUISJK-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
N-[3-(diethylamino)propyl]-N'-pyridin-3-yloxamide
CID 47333747
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-[3-(dipropylamino)propyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 126478016
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
2-[butyl(ethyl)amino]-N-(4-ethylphenyl)acetamide
CID 55437047
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
CID 121112357
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide (CID 108522284) is N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)NCCCN(CC)CC)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide?
The InChIKey is UGHRMCAOUUISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-14-8-10-15(11-9-14)19-17(22)16(21)18-12-7-13-20(5-2)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-ethylphenyl)oxamide?
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide has a molecular weight of 305.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide is sourced from PubChem (CID 108522284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).