3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate

C11H19NO3 — CID 134486156

IUPAC3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
SMILESC=CC(=O)N(C)CCCOC(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-10(13)12(4)7-6-8-15-11(14)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyVNUQOBIXTWSDRC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds6

About 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate

3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate (PubChem CID 134486156) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate.

Molecular Properties

Compound Name3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
PubChem CID134486156
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
SMILESC=CC(=O)N(C)CCCOC(=O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-10(13)12(4)7-6-8-15-11(14)9(2)3/h5,9H,1,6-8H2,2-4H3
InChIKeyVNUQOBIXTWSDRC-UHFFFAOYSA-N
XLogP1.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
3-[methyl(prop-2-enoyl)amino]propyl butanoate
CID 134486208
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
CID 58422062
CID 58422062
oct-7-enyl 2-methylpropanoate
CID 87633860
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate?
The IUPAC name of 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate (CID 134486156) is 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate.
What is the SMILES notation for 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate?
The canonical SMILES for 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate is C=CC(=O)N(C)CCCOC(=O)C(C)C.
What is the InChIKey of 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate?
The InChIKey is VNUQOBIXTWSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-10(13)12(4)7-6-8-15-11(14)9(2)3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate?
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate is sourced from PubChem (CID 134486156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).