N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide

C16H23N3O2 — CID 16891976

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-11-17-15(20)16(21)18-12-5-6-13-7-9-14(10-8-13)19(2)3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyQAILGJGQBOXUAA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.10
Rot. Bonds7

About N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide (PubChem CID 16891976) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
PubChem CID16891976
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-11-17-15(20)16(21)18-12-5-6-13-7-9-14(10-8-13)19(2)3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyQAILGJGQBOXUAA-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N'-[2-(cyclohexen-1-yl)ethyl]-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16891997
1-[[4-(dimethylamino)phenyl]methyl]-3-prop-2-enylurea
CID 38949005
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
2-[3-[4-(dimethylamino)phenyl]propyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925979
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide (CID 16891976) is N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide?
The InChIKey is QAILGJGQBOXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-11-17-15(20)16(21)18-12-5-6-13-7-9-14(10-8-13)19(2)3/h4,7-10H,1,5-6,11-12H2,2-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide has a molecular weight of 289.38 g/mol, XLogP of 1.10, 7 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'-prop-2-enyloxamide is sourced from PubChem (CID 16891976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).