methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate

C14H26N2O4 — CID 3246761

IUPACmethyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
SMILESCOC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-13(2)6-10(16-12(18)20-5)7-14(3,8-13)9-15-11(17)19-4/h10H,6-9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyBAMOLHXSXMKLAA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds3

About methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate

methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate (PubChem CID 3246761) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
PubChem CID3246761
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
SMILESCOC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-13(2)6-10(16-12(18)20-5)7-14(3,8-13)9-15-11(17)19-4/h10H,6-9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyBAMOLHXSXMKLAA-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]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 methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The IUPAC name of methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate (CID 3246761) is methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate.
What is the SMILES notation for methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The canonical SMILES for methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate is COC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1.
What is the InChIKey of methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The InChIKey is BAMOLHXSXMKLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2)6-10(16-12(18)20-5)7-14(3,8-13)9-15-11(17)19-4/h10H,6-9H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate is sourced from PubChem (CID 3246761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).