2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate

C12H18N2O3 — CID 138533893

IUPAC2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CCN(CC=C)C(=O)NCCOC(=O)C=C
InChIInChI=1S/C12H18N2O3/c1-4-8-14(9-5-2)12(16)13-7-10-17-11(15)6-3/h4-6H,1-3,7-10H2,(H,13,16)
InChIKeyMZLOECQOWCUEGF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.10
Rot. Bonds8

About 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate

2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate (PubChem CID 138533893) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
PubChem CID138533893
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CCN(CC=C)C(=O)NCCOC(=O)C=C
InChIInChI=1S/C12H18N2O3/c1-4-8-14(9-5-2)12(16)13-7-10-17-11(15)6-3/h4-6H,1-3,7-10H2,(H,13,16)
InChIKeyMZLOECQOWCUEGF-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate 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

N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-formamidoethyl prop-2-enoate
CID 18401312
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate
CID 144569647
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate (CID 138533893) is 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate is C=CCN(CC=C)C(=O)NCCOC(=O)C=C.
What is the InChIKey of 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate?
The InChIKey is MZLOECQOWCUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-8-14(9-5-2)12(16)13-7-10-17-11(15)6-3/h4-6H,1-3,7-10H2,(H,13,16).
What are the key properties of 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate?
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 138533893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).