[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate

C16H28N2O4 — CID 88854709

IUPAC[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(C)(C)COC(=O)C(C)C
InChIInChI=1S/C16H28N2O4/c1-8-12(19)18-16(6,7)14(21)17-9-15(4,5)10-22-13(20)11(2)3/h8,11H,1,9-10H2,2-7H3,(H,17,21)(H,18,19)
InChIKeyDZHDXGWRWFQHCC-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.41
Rot. Bonds8

About [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate

[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate (PubChem CID 88854709) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate
PubChem CID88854709
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(C)(C)COC(=O)C(C)C
InChIInChI=1S/C16H28N2O4/c1-8-12(19)18-16(6,7)14(21)17-9-15(4,5)10-22-13(20)11(2)3/h8,11H,1,9-10H2,2-7H3,(H,17,21)(H,18,19)
InChIKeyDZHDXGWRWFQHCC-UHFFFAOYSA-N
XLogP1.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate with MolForge

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Related Compounds

[2,2-Dimethyl-3-(prop-2-enoylamino)propyl] 2-methylpropanoate
CID 88854711
[2,2-Dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] acetate
CID 88855034
[2,2-Dimethyl-3-(prop-2-enoylamino)propyl] 2,2-dimethyl-3-(prop-2-enoylamino)propanoate
CID 89189781
[3-[[2-(Buta-1,3-dien-2-ylamino)-2-methylpropanoyl]amino]-2,2-dimethylpropyl] acetate
CID 118517825
Methyl 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetate
CID 123509499
Methyl 2,2,3-trimethyl-3-[[2-(prop-2-enoylamino)acetyl]amino]butanoate
CID 129120073
[2,2-Dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] formate
CID 134254854
Methyl 3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propanoate
CID 134339741

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate?
The IUPAC name of [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate (CID 88854709) is [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate.
What is the SMILES notation for [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate?
The canonical SMILES for [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate is C=CC(=O)NC(C)(C)C(=O)NCC(C)(C)COC(=O)C(C)C.
What is the InChIKey of [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate?
The InChIKey is DZHDXGWRWFQHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-8-12(19)18-16(6,7)14(21)17-9-15(4,5)10-22-13(20)11(2)3/h8,11H,1,9-10H2,2-7H3,(H,17,21)(H,18,19).
What are the key properties of [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate?
[2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate has a molecular weight of 312.41 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] 2-methylpropanoate is sourced from PubChem (CID 88854709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).