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

C15H21N3O2 — CID 16891475

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-10-16-14(19)15(20)17-11-9-12-5-7-13(8-6-12)18(2)3/h4-8H,1,9-11H2,2-3H3,(H,16,19)(H,17,20)
InChIKeyKWGAERNICQPEKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.71
Rot. Bonds6

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide (PubChem CID 16891475) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
PubChem CID16891475
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-10-16-14(19)15(20)17-11-9-12-5-7-13(8-6-12)18(2)3/h4-8H,1,9-11H2,2-3H3,(H,16,19)(H,17,20)
InChIKeyKWGAERNICQPEKU-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.71
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
1-[[4-(dimethylamino)phenyl]methyl]-3-prop-2-enylurea
CID 38949005
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639197
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
N'-[2-(cyclohexen-1-yl)ethyl]-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16891997
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide (CID 16891475) is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide?
The InChIKey is KWGAERNICQPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10-16-14(19)15(20)17-11-9-12-5-7-13(8-6-12)18(2)3/h4-8H,1,9-11H2,2-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide has a molecular weight of 275.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide is sourced from PubChem (CID 16891475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).