2-hydroxyethyl N-(4-propylcyclohexyl)carbamate

C12H23NO3 — CID 79349163

IUPAC2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
SMILESCCCC1CCC(NC(=O)OCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-3-10-4-6-11(7-5-10)13-12(15)16-9-8-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyCMXUVAKXXJYMOW-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds5

About 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate

2-hydroxyethyl N-(4-propylcyclohexyl)carbamate (PubChem CID 79349163) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
PubChem CID79349163
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
SMILESCCCC1CCC(NC(=O)OCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-3-10-4-6-11(7-5-10)13-12(15)16-9-8-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyCMXUVAKXXJYMOW-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
CID 79345625
propyl N-(oxan-4-yl)carbamate
CID 89062839
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate (CID 79349163) is 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate is CCCC1CCC(NC(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate?
The InChIKey is CMXUVAKXXJYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-10-4-6-11(7-5-10)13-12(15)16-9-8-14/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate?
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-propylcyclohexyl)carbamate is sourced from PubChem (CID 79349163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).