methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate

C12H21NO3 — CID 154094057

IUPACmethyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate
SMILESC=COCCN(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-16-10-9-13(12(14)15-2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3
InChIKeyVUYKNQQUTIWVMA-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.55
Rot. Bonds5

About methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate

methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate (PubChem CID 154094057) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate
PubChem CID154094057
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate
SMILESC=COCCN(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H21NO3/c1-3-16-10-9-13(12(14)15-2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3
InChIKeyVUYKNQQUTIWVMA-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl(2-ethenoxyethyl)cyanamide
CID 121220580
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
2-[cyclohexyl(prop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
CID 118885910
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate
CID 43137085
(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
CID 21389965
2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
CID 62230761
N-cyclohexyl-2-(3-methoxypropylamino)-N-methylacetamide
CID 54829340
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
CID 79345819
methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
CID 154113841

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate?
The IUPAC name of methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate (CID 154094057) is methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate.
What is the SMILES notation for methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate?
The canonical SMILES for methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate is C=COCCN(C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate?
The InChIKey is VUYKNQQUTIWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-16-10-9-13(12(14)15-2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3.
What are the key properties of methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate?
methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohexyl-N-(2-ethenoxyethyl)carbamate is sourced from PubChem (CID 154094057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).