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

C11H19NO3 — CID 134486208

IUPAC3-[methyl(prop-2-enoyl)amino]propyl butanoate
SMILESC=CC(=O)N(C)CCCOC(=O)CCC
InChIInChI=1S/C11H19NO3/c1-4-7-11(14)15-9-6-8-12(3)10(13)5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyZBUBXZSXPPSSAE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds7

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

3-[methyl(prop-2-enoyl)amino]propyl butanoate (PubChem CID 134486208) 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 butanoate.

Molecular Properties

Compound Name3-[methyl(prop-2-enoyl)amino]propyl butanoate
PubChem CID134486208
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[methyl(prop-2-enoyl)amino]propyl butanoate
SMILESC=CC(=O)N(C)CCCOC(=O)CCC
InChIInChI=1S/C11H19NO3/c1-4-7-11(14)15-9-6-8-12(3)10(13)5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyZBUBXZSXPPSSAE-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
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'}

Analyze 3-[methyl(prop-2-enoyl)amino]propyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
2-ethylhexyl 4-[methyl(prop-2-enoyl)amino]butanoate
CID 134486280
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995
pentyl butanoate
CID 10890
pentadecyl butanoate
CID 560582
CID 161369205
CID 161369205
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(prop-2-enoyl)amino]propyl butanoate?
The IUPAC name of 3-[methyl(prop-2-enoyl)amino]propyl butanoate (CID 134486208) is 3-[methyl(prop-2-enoyl)amino]propyl butanoate.
What is the SMILES notation for 3-[methyl(prop-2-enoyl)amino]propyl butanoate?
The canonical SMILES for 3-[methyl(prop-2-enoyl)amino]propyl butanoate is C=CC(=O)N(C)CCCOC(=O)CCC.
What is the InChIKey of 3-[methyl(prop-2-enoyl)amino]propyl butanoate?
The InChIKey is ZBUBXZSXPPSSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-11(14)15-9-6-8-12(3)10(13)5-2/h5H,2,4,6-9H2,1,3H3.
What are the key properties of 3-[methyl(prop-2-enoyl)amino]propyl butanoate?
3-[methyl(prop-2-enoyl)amino]propyl butanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 7 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 butanoate is sourced from PubChem (CID 134486208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).