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

C16H23N3O2 — CID 16892026

IUPACN'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-19(2)14-9-5-12(6-10-14)4-3-11-17-15(20)16(21)18-13-7-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXYBBYAPEHNTEOG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds6

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

N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (PubChem CID 16892026) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
PubChem CID16892026
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-19(2)14-9-5-12(6-10-14)4-3-11-17-15(20)16(21)18-13-7-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyXYBBYAPEHNTEOG-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.08
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

1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N-cyclopropyl-3-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]benzamide
CID 86988079
N'-[2-(cyclohexen-1-yl)ethyl]-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16891997
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892053
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 51108522

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (CID 16892026) is N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is CN(C)c1ccc(CCCNC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The InChIKey is XYBBYAPEHNTEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)14-9-5-12(6-10-14)4-3-11-17-15(20)16(21)18-13-7-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide has a molecular weight of 289.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is sourced from PubChem (CID 16892026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).