ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate

C12H22N2O3 — CID 47030916

IUPACethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)13-8-11(15)14-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHEQCVHJGSXMKTC-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.43
Rot. Bonds4

About ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate

ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate (PubChem CID 47030916) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate
PubChem CID47030916
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)13-8-11(15)14-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyHEQCVHJGSXMKTC-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate (CID 47030916) is ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)NC1CCC(C)CC1.
What is the InChIKey of ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate?
The InChIKey is HEQCVHJGSXMKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)13-8-11(15)14-10-6-4-9(2)5-7-10/h9-10H,3-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate?
ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47030916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).