[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate

C14H26N2O3 — CID 150634037

IUPAC[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCC1(CC(N)=O)CCCCC1)OC(N)=O
InChIInChI=1S/C14H26N2O3/c1-13(2,19-12(16)18)8-9-14(10-11(15)17)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyIYMSRVPFQCNXRV-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.47
Rot. Bonds6

About [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate

[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate (PubChem CID 150634037) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate
PubChem CID150634037
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCC1(CC(N)=O)CCCCC1)OC(N)=O
InChIInChI=1S/C14H26N2O3/c1-13(2,19-12(16)18)8-9-14(10-11(15)17)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyIYMSRVPFQCNXRV-UHFFFAOYSA-N
XLogP2.47
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate (CID 150634037) is [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate is CC(C)(CCC1(CC(N)=O)CCCCC1)OC(N)=O.
What is the InChIKey of [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate?
The InChIKey is IYMSRVPFQCNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,19-12(16)18)8-9-14(10-11(15)17)6-4-3-5-7-14/h3-10H2,1-2H3,(H2,15,17)(H2,16,18).
What are the key properties of [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate?
[4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-amino-2-oxoethyl)cyclohexyl]-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 150634037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).