propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate

C12H21NO3 — CID 134486326

IUPACpropan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)C(C)C(=O)OC(C)C
InChIInChI=1S/C12H21NO3/c1-6-8-13(11(14)7-2)10(5)12(15)16-9(3)4/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyDOYCKCAWJZSDIG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds6

About propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate

propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate (PubChem CID 134486326) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate
PubChem CID134486326
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namepropan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate
SMILESC=CC(=O)N(CCC)C(C)C(=O)OC(C)C
InChIInChI=1S/C12H21NO3/c1-6-8-13(11(14)7-2)10(5)12(15)16-9(3)4/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyDOYCKCAWJZSDIG-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N-[3-[prop-2-enoyl(propyl)amino]butyl]prop-2-enamide
CID 134438406
tert-butyl 2-[2-acetamidoethyl(prop-2-enoyl)amino]propanoate
CID 126831691
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343
propan-2-yl 2-[acetyl(prop-2-enyl)amino]butanoate
CID 84572941
ethyl (2R,3R)-3-hydroxy-2-methylpent-4-enoate;propan-2-yl (2R,3R)-3-hydroxy-2-methylpent-4-enoate
CID 158770655
propan-2-yl (3S,4R)-4-ethenyl-3-methyl-2-oxoheptanoate
CID 101004444
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate?
The IUPAC name of propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate (CID 134486326) is propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate is C=CC(=O)N(CCC)C(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate?
The InChIKey is DOYCKCAWJZSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-8-13(11(14)7-2)10(5)12(15)16-9(3)4/h7,9-10H,2,6,8H2,1,3-5H3.
What are the key properties of propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate?
propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate is sourced from PubChem (CID 134486326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).