butyl 3-[prop-2-enoyl(propyl)amino]propanoate

C13H23NO3 — CID 134486342

IUPACbutyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OCCCC
InChIInChI=1S/C13H23NO3/c1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyFUMOHRLRKREHIZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds9

About butyl 3-[prop-2-enoyl(propyl)amino]propanoate

butyl 3-[prop-2-enoyl(propyl)amino]propanoate (PubChem CID 134486342) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is butyl 3-[prop-2-enoyl(propyl)amino]propanoate.

Molecular Properties

Compound Namebutyl 3-[prop-2-enoyl(propyl)amino]propanoate
PubChem CID134486342
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namebutyl 3-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)CCC(=O)OCCCC
InChIInChI=1S/C13H23NO3/c1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyFUMOHRLRKREHIZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
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

hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
3-[methyl(prop-2-enoyl)amino]propyl butanoate
CID 134486208
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
butyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-ethylhexyl 3-[prop-2-enoyl(propyl)amino]propanoate;ethyl 3-[prop-2-enoyl(propyl)amino]propanoate;hexyl 3-[prop-2-enoyl(propyl)amino]propanoate;methyl 3-[prop-2-enoyl(propyl)amino]propanoate;2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate;propan-2-yl 3-[prop-2-enoyl(propyl)amino]propanoate;propyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 161029299
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
dibutyl heptadecanedioate
CID 87117348
butyl 4-(dimethylamino)butanoate
CID 89434908

Frequently Asked Questions

What is the IUPAC name of butyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The IUPAC name of butyl 3-[prop-2-enoyl(propyl)amino]propanoate (CID 134486342) is butyl 3-[prop-2-enoyl(propyl)amino]propanoate.
What is the SMILES notation for butyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The canonical SMILES for butyl 3-[prop-2-enoyl(propyl)amino]propanoate is C=CC(=O)N(CCC)CCC(=O)OCCCC.
What is the InChIKey of butyl 3-[prop-2-enoyl(propyl)amino]propanoate?
The InChIKey is FUMOHRLRKREHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-7-11-17-13(16)8-10-14(9-5-2)12(15)6-3/h6H,3-5,7-11H2,1-2H3.
What are the key properties of butyl 3-[prop-2-enoyl(propyl)amino]propanoate?
butyl 3-[prop-2-enoyl(propyl)amino]propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[prop-2-enoyl(propyl)amino]propanoate is sourced from PubChem (CID 134486342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).