2-acetamidoethyl prop-2-enoate;ethane

C29H77NO3 — CID 158515563

IUPAC2-acetamidoethyl prop-2-enoate;ethane
SMILESC=CC(=O)OCCNC(C)=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H11NO3.11C2H6/c1-3-7(10)11-5-4-8-6(2)9;11*1-2/h3H,1,4-5H2,2H3,(H,8,9);11*1-2H3
InChIKeyHLOVHYYAJDBDJX-UHFFFAOYSA-N
MW487.94 g/mol
LogP11.14
Rot. Bonds4

About 2-acetamidoethyl prop-2-enoate;ethane

2-acetamidoethyl prop-2-enoate;ethane (PubChem CID 158515563) has the molecular formula C29H77NO3 and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-acetamidoethyl prop-2-enoate;ethane.

Molecular Properties

Compound Name2-acetamidoethyl prop-2-enoate;ethane
PubChem CID158515563
Molecular FormulaC29H77NO3
Molecular Weight487.94 g/mol
Exact Mass487.59
IUPAC Name2-acetamidoethyl prop-2-enoate;ethane
SMILESC=CC(=O)OCCNC(C)=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C7H11NO3.11C2H6/c1-3-7(10)11-5-4-8-6(2)9;11*1-2/h3H,1,4-5H2,2H3,(H,8,9);11*1-2H3
InChIKeyHLOVHYYAJDBDJX-UHFFFAOYSA-N
XLogP11.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.94
LogP ≤ 511.14
H-Bond Donors ≤ 51
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 2-acetamidoethyl prop-2-enoate;ethane 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

2-acetamidoethyl prop-2-enoate
CID 23089005
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
CID 146640765
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl prop-2-enoate
CID 87421458
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-acetamidoethyl hydrogen carbonate
CID 150133482

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl prop-2-enoate;ethane?
The IUPAC name of 2-acetamidoethyl prop-2-enoate;ethane (CID 158515563) is 2-acetamidoethyl prop-2-enoate;ethane.
What is the SMILES notation for 2-acetamidoethyl prop-2-enoate;ethane?
The canonical SMILES for 2-acetamidoethyl prop-2-enoate;ethane is C=CC(=O)OCCNC(C)=O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of 2-acetamidoethyl prop-2-enoate;ethane?
The InChIKey is HLOVHYYAJDBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.11C2H6/c1-3-7(10)11-5-4-8-6(2)9;11*1-2/h3H,1,4-5H2,2H3,(H,8,9);11*1-2H3.
What are the key properties of 2-acetamidoethyl prop-2-enoate;ethane?
2-acetamidoethyl prop-2-enoate;ethane has a molecular weight of 487.94 g/mol, XLogP of 11.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl prop-2-enoate;ethane is sourced from PubChem (CID 158515563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).