2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate

C13H22N2O3 — CID 146561836

IUPAC2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-2-12(16)18-9-8-14-13(17)15-10-11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H2,14,15,17)
InChIKeyMCLGNCDOBMKTQG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.60
Rot. Bonds6

About 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate

2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate (PubChem CID 146561836) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
PubChem CID146561836
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C13H22N2O3/c1-2-12(16)18-9-8-14-13(17)15-10-11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H2,14,15,17)
InChIKeyMCLGNCDOBMKTQG-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
CID 70560531
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
2-acetamidoethyl prop-2-enoate
CID 23089005
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
4-[[3-[(2-acetyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 134238587
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
CID 108902594
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
CID 20643852
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate (CID 146561836) is 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)NCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate?
The InChIKey is MCLGNCDOBMKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-12(16)18-9-8-14-13(17)15-10-11-6-4-3-5-7-11/h2,11H,1,3-10H2,(H2,14,15,17).
What are the key properties of 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate?
2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 146561836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).