methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate

C12H20N2O3 — CID 112991092

IUPACmethyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)14-9-11(15)13-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyUFCHRHUSBSTTMO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.35
Rot. Bonds5

About methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate

methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 112991092) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
PubChem CID112991092
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)14-9-11(15)13-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyUFCHRHUSBSTTMO-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
N-[2-(cyclopenten-1-yl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103842228
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate (CID 112991092) is methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NCCC1=CCCCC1.
What is the InChIKey of methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is UFCHRHUSBSTTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)14-9-11(15)13-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate?
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 112991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).