ethyl N-(4-butylcyclohexyl)carbamate

C13H25NO2 — CID 145473547

IUPACethyl N-(4-butylcyclohexyl)carbamate
SMILESCCCCC1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)16-4-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyYUNDGBYORKVEOK-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.48
Rot. Bonds5

About ethyl N-(4-butylcyclohexyl)carbamate

ethyl N-(4-butylcyclohexyl)carbamate (PubChem CID 145473547) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl N-(4-butylcyclohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-butylcyclohexyl)carbamate
PubChem CID145473547
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl N-(4-butylcyclohexyl)carbamate
SMILESCCCCC1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)16-4-2/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyYUNDGBYORKVEOK-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
3-[(1R,3R)-3-(butoxycarbonylamino)cyclopentyl]propyl-ethoxy-oxophosphanium
CID 154439858
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl N-(thian-4-yl)carbamate
CID 115599837

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-butylcyclohexyl)carbamate?
The IUPAC name of ethyl N-(4-butylcyclohexyl)carbamate (CID 145473547) is ethyl N-(4-butylcyclohexyl)carbamate.
What is the SMILES notation for ethyl N-(4-butylcyclohexyl)carbamate?
The canonical SMILES for ethyl N-(4-butylcyclohexyl)carbamate is CCCCC1CCC(NC(=O)OCC)CC1.
What is the InChIKey of ethyl N-(4-butylcyclohexyl)carbamate?
The InChIKey is YUNDGBYORKVEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)16-4-2/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-(4-butylcyclohexyl)carbamate?
ethyl N-(4-butylcyclohexyl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-butylcyclohexyl)carbamate is sourced from PubChem (CID 145473547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).