5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide

C21H25I2N3O2 — CID 143579091

IUPAC5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1c(C)c(C(=O)N(CC=C)CC=C)c(I)c(N)c1I
InChIInChI=1S/C21H25I2N3O2/c1-6-10-25(11-7-2)20(27)15-14(5)16(18(23)19(24)17(15)22)21(28)26(12-8-3)13-9-4/h6-9H,1-4,10-13,24H2,5H3
InChIKeySKVSRVMJYOKPAL-UHFFFAOYSA-N
MW605.26 g/mol
LogP4.41
Rot. Bonds10

About 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide

5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide (PubChem CID 143579091) has the molecular formula C21H25I2N3O2 and a molecular weight of 605.26 g/mol. Its IUPAC name is 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide
PubChem CID143579091
Molecular FormulaC21H25I2N3O2
Molecular Weight605.26 g/mol
Exact Mass605.00
IUPAC Name5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1c(C)c(C(=O)N(CC=C)CC=C)c(I)c(N)c1I
InChIInChI=1S/C21H25I2N3O2/c1-6-10-25(11-7-2)20(27)15-14(5)16(18(23)19(24)17(15)22)21(28)26(12-8-3)13-9-4/h6-9H,1-4,10-13,24H2,5H3
InChIKeySKVSRVMJYOKPAL-UHFFFAOYSA-N
XLogP4.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide (CID 143579091) is 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide is C=CCN(CC=C)C(=O)c1c(C)c(C(=O)N(CC=C)CC=C)c(I)c(N)c1I.
What is the InChIKey of 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide?
The InChIKey is SKVSRVMJYOKPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25I2N3O2/c1-6-10-25(11-7-2)20(27)15-14(5)16(18(23)19(24)17(15)22)21(28)26(12-8-3)13-9-4/h6-9H,1-4,10-13,24H2,5H3.
What are the key properties of 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide?
5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide has a molecular weight of 605.26 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-diiodo-2-methyl-1-N,1-N,3-N,3-N-tetrakis(prop-2-enyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 143579091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).