methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate

C11H20N2O3 — CID 3953130

IUPACmethyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
SMILESCCC1CCC(C(=O)NNC(=O)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-8-4-6-9(7-5-8)10(14)12-13-11(15)16-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXJZAGAXUWXRLBF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.59
Rot. Bonds2

About methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate

methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate (PubChem CID 3953130) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
PubChem CID3953130
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
SMILESCCC1CCC(C(=O)NNC(=O)OC)CC1
InChIInChI=1S/C11H20N2O3/c1-3-8-4-6-9(7-5-8)10(14)12-13-11(15)16-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXJZAGAXUWXRLBF-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
4-ethyl-N-(methylideneamino)cyclohexane-1-carboxamide
CID 170376309
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454
ethane;ethylcyclopropane
CID 91380076
methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 5322729
N'-acetylcyclopropanecarbohydrazide
CID 118429111

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate?
The IUPAC name of methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate (CID 3953130) is methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate.
What is the SMILES notation for methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate?
The canonical SMILES for methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate is CCC1CCC(C(=O)NNC(=O)OC)CC1.
What is the InChIKey of methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate?
The InChIKey is XJZAGAXUWXRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8-4-6-9(7-5-8)10(14)12-13-11(15)16-2/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate?
methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate is sourced from PubChem (CID 3953130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).