2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C23H37N3O3 — CID 4584308

IUPAC2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN(CC=C)C(=O)CCCCCCCCCCC)n1
InChIInChI=1S/C23H37N3O3/c1-4-7-8-9-10-11-12-13-14-15-22(27)26(17-6-3)18-21-25-20(19-29-21)23(28)24-16-5-2/h5-6,19H,2-4,7-18H2,1H3,(H,24,28)
InChIKeyDGRYHJQXDFYXBT-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.03
Rot. Bonds17

About 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 4584308) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID4584308
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(CN(CC=C)C(=O)CCCCCCCCCCC)n1
InChIInChI=1S/C23H37N3O3/c1-4-7-8-9-10-11-12-13-14-15-22(27)26(17-6-3)18-21-25-20(19-29-21)23(28)24-16-5-2/h5-6,19H,2-4,7-18H2,1H3,(H,24,28)
InChIKeyDGRYHJQXDFYXBT-UHFFFAOYSA-N
XLogP5.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[decanoyl(ethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 3990997
N-(2-methylpropyl)-2-[[2-methylpropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3890985
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(octanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654856
2-[[(4-methoxybenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4242370
2-[[(4-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4538772
2-[[(2-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 5125262
2-[[acetyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 4242407
N-(2-methylpropyl)-2-[[2-methylpropyl(pentanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5015669
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
2-[[propanoyl(propyl)amino]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 42766155
2-[[butanoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 4677141
2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3396917

Frequently Asked Questions

What is the IUPAC name of 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 4584308) is 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCNC(=O)c1coc(CN(CC=C)C(=O)CCCCCCCCCCC)n1.
What is the InChIKey of 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is DGRYHJQXDFYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-4-7-8-9-10-11-12-13-14-15-22(27)26(17-6-3)18-21-25-20(19-29-21)23(28)24-16-5-2/h5-6,19H,2-4,7-18H2,1H3,(H,24,28).
What are the key properties of 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 5.03, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dodecanoyl(prop-2-enyl)amino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4584308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).