2-[acetyl(propyl)amino]ethyl prop-2-enoate

C10H17NO3 — CID 118477118

IUPAC2-[acetyl(propyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCC)C(C)=O
InChIInChI=1S/C10H17NO3/c1-4-6-11(9(3)12)7-8-14-10(13)5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyNGJGHNWXCLFTRG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds6

About 2-[acetyl(propyl)amino]ethyl prop-2-enoate

2-[acetyl(propyl)amino]ethyl prop-2-enoate (PubChem CID 118477118) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]ethyl prop-2-enoate
PubChem CID118477118
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[acetyl(propyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCC)C(C)=O
InChIInChI=1S/C10H17NO3/c1-4-6-11(9(3)12)7-8-14-10(13)5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyNGJGHNWXCLFTRG-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
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

bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
carbamic acid;propyl prop-2-enoate
CID 87571569
butan-2-one;butyl prop-2-enoate
CID 88737685
[methyl(propyl)amino]methyl prop-2-enoate
CID 91333116
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentatriacontyl prop-2-enoate
CID 141309454

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[acetyl(propyl)amino]ethyl prop-2-enoate (CID 118477118) is 2-[acetyl(propyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[acetyl(propyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[acetyl(propyl)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(CCC)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]ethyl prop-2-enoate?
The InChIKey is NGJGHNWXCLFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6-11(9(3)12)7-8-14-10(13)5-2/h5H,2,4,6-8H2,1,3H3.
What are the key properties of 2-[acetyl(propyl)amino]ethyl prop-2-enoate?
2-[acetyl(propyl)amino]ethyl prop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 118477118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).