N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide

C19H23N3O2 — CID 16892017

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)17-12-10-15(11-13-17)7-6-14-20-18(23)19(24)21-16-8-4-3-5-9-16/h3-5,8-13H,6-7,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUVHGWWXIELJPAS-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds6

About N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide (PubChem CID 16892017) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
PubChem CID16892017
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)17-12-10-15(11-13-17)7-6-14-20-18(23)19(24)21-16-8-4-3-5-9-16/h3-5,8-13H,6-7,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUVHGWWXIELJPAS-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139479
N-butyl-N'-phenyloxamide
CID 2290889
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 16891544

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide (CID 16892017) is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide is CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide?
The InChIKey is UVHGWWXIELJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)17-12-10-15(11-13-17)7-6-14-20-18(23)19(24)21-16-8-4-3-5-9-16/h3-5,8-13H,6-7,14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide has a molecular weight of 325.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide is sourced from PubChem (CID 16892017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).