2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate

C10H16N2O4 — CID 90326945

IUPAC2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(C)=O)C(=O)NC
InChIInChI=1S/C10H16N2O4/c1-7(2)9(14)16-6-5-12(8(3)13)10(15)11-4/h1,5-6H2,2-4H3,(H,11,15)
InChIKeyYXBYCJPTGOPKST-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.29
Rot. Bonds4

About 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate

2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 90326945) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID90326945
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(C)=O)C(=O)NC
InChIInChI=1S/C10H16N2O4/c1-7(2)9(14)16-6-5-12(8(3)13)10(15)11-4/h1,5-6H2,2-4H3,(H,11,15)
InChIKeyYXBYCJPTGOPKST-UHFFFAOYSA-N
XLogP0.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 88559321
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
CID 138744841
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate (CID 90326945) is 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C(C)=O)C(=O)NC.
What is the InChIKey of 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is YXBYCJPTGOPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(2)9(14)16-6-5-12(8(3)13)10(15)11-4/h1,5-6H2,2-4H3,(H,11,15).
What are the key properties of 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 228.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methylcarbamoyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90326945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).