N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide

C19H31N3O2 — CID 108521591

IUPACN'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C19H31N3O2/c1-5-9-15-22(14-6-2)19(24)18(23)20-16-10-12-17(13-11-16)21(7-3)8-4/h10-13H,5-9,14-15H2,1-4H3,(H,20,23)
InChIKeyGXYFLJNQNJNBPP-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.51
Rot. Bonds9

About N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide

N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide (PubChem CID 108521591) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
PubChem CID108521591
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C19H31N3O2/c1-5-9-15-22(14-6-2)19(24)18(23)20-16-10-12-17(13-11-16)21(7-3)8-4/h10-13H,5-9,14-15H2,1-4H3,(H,20,23)
InChIKeyGXYFLJNQNJNBPP-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
N-(4-iodophenyl)-N',N'-dipropyloxamide
CID 47335998
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
N-(4-carbamoylphenyl)-N',N'-dipropyloxamide
CID 108528696
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
ethyl 4-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108500129

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide?
The IUPAC name of N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide (CID 108521591) is N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide?
The InChIKey is GXYFLJNQNJNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-9-15-22(14-6-2)19(24)18(23)20-16-10-12-17(13-11-16)21(7-3)8-4/h10-13H,5-9,14-15H2,1-4H3,(H,20,23).
What are the key properties of N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide?
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide has a molecular weight of 333.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide is sourced from PubChem (CID 108521591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).