2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate

C12H23NO3 — CID 79345625

IUPAC2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
SMILESCCC1CCC(CNC(=O)OCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-10-3-5-11(6-4-10)9-13-12(15)16-8-7-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyBLMYBSKDSZLZBN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.92
Rot. Bonds5

About 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate

2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate (PubChem CID 79345625) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
PubChem CID79345625
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
SMILESCCC1CCC(CNC(=O)OCCO)CC1
InChIInChI=1S/C12H23NO3/c1-2-10-3-5-11(6-4-10)9-13-12(15)16-8-7-14/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyBLMYBSKDSZLZBN-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727
2-hydroxyethyl N-[(1-cyclopropylpyrrolidin-3-yl)methyl]carbamate
CID 79348875
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-hydroxyethyl N-[(2-hydroxycyclohexyl)methyl]carbamate
CID 79349518
2-hydroxyethyl N-propylcarbamate
CID 15560805
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate (CID 79345625) is 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate is CCC1CCC(CNC(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate?
The InChIKey is BLMYBSKDSZLZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-10-3-5-11(6-4-10)9-13-12(15)16-8-7-14/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate?
2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 1.92, 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-ethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 79345625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).