3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate

C12H22N2O4 — CID 169159810

IUPAC3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)NCCCOC
InChIInChI=1S/C12H22N2O4/c1-10(2)11(15)18-9-5-7-14-12(16)13-6-4-8-17-3/h1,4-9H2,2-3H3,(H2,13,14,16)
InChIKeyHLHCUAWOJMQVAE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.83
Rot. Bonds9

About 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate

3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate (PubChem CID 169159810) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
PubChem CID169159810
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)NCCCOC
InChIInChI=1S/C12H22N2O4/c1-10(2)11(15)18-9-5-7-14-12(16)13-6-4-8-17-3/h1,4-9H2,2-3H3,(H2,13,14,16)
InChIKeyHLHCUAWOJMQVAE-UHFFFAOYSA-N
XLogP0.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
[17-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]-4-oxoheptadecyl] 2-methylprop-2-enoate
CID 161284474
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
CID 118143712
2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 174905152
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate (CID 169159810) is 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNC(=O)NCCCOC.
What is the InChIKey of 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate?
The InChIKey is HLHCUAWOJMQVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10(2)11(15)18-9-5-7-14-12(16)13-6-4-8-17-3/h1,4-9H2,2-3H3,(H2,13,14,16).
What are the key properties of 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate?
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate has a molecular weight of 258.32 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 169159810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).