N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide

C18H24N2O2 — CID 108516808

IUPACN-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-6-12-20(13-7-2)17(22)16(21)19-15-10-8-14(9-11-15)18(3,4)5/h6-11H,1-2,12-13H2,3-5H3,(H,19,21)
InChIKeyJSDFFKUJSROFSD-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds5

About N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide

N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516808) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516808
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O2/c1-6-12-20(13-7-2)17(22)16(21)19-15-10-8-14(9-11-15)18(3,4)5/h6-11H,1-2,12-13H2,3-5H3,(H,19,21)
InChIKeyJSDFFKUJSROFSD-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3616986
2-[bis(prop-2-enyl)amino]-N-phenyl-2-sulfanylideneacetamide
CID 535398
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516758
3-[4-[[4-[bis(prop-2-enyl)carbamoylamino]phenyl]methyl]phenyl]-1,1-bis(prop-2-enyl)urea
CID 4614522
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739183
N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
CID 84571474
N'-(4-tert-butylphenyl)-N-(cyanomethyl)oxamide
CID 43315681

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516808) is N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is JSDFFKUJSROFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-6-12-20(13-7-2)17(22)16(21)19-15-10-8-14(9-11-15)18(3,4)5/h6-11H,1-2,12-13H2,3-5H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 300.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).