2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide

C16H21N3O2 — CID 87029576

IUPAC2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(C)c1C(N)=O
InChIInChI=1S/C16H21N3O2/c1-4-9-19(10-5-2)14(20)11-18-13-8-6-7-12(3)15(13)16(17)21/h4-8,18H,1-2,9-11H2,3H3,(H2,17,21)
InChIKeyYSPABWFVWSPGCU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.71
Rot. Bonds8

About 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide (PubChem CID 87029576) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
PubChem CID87029576
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(C)c1C(N)=O
InChIInChI=1S/C16H21N3O2/c1-4-9-19(10-5-2)14(20)11-18-13-8-6-7-12(3)15(13)16(17)21/h4-8,18H,1-2,9-11H2,3H3,(H2,17,21)
InChIKeyYSPABWFVWSPGCU-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide?
The IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide (CID 87029576) is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide.
What is the SMILES notation for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide?
The canonical SMILES for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide is C=CCN(CC=C)C(=O)CNc1cccc(C)c1C(N)=O.
What is the InChIKey of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide?
The InChIKey is YSPABWFVWSPGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-19(10-5-2)14(20)11-18-13-8-6-7-12(3)15(13)16(17)21/h4-8,18H,1-2,9-11H2,3H3,(H2,17,21).
What are the key properties of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide?
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide is sourced from PubChem (CID 87029576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).