(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate

C18H32N2O4 — CID 59584170

IUPAC(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
SMILESCC1(OC(=O)NCCNC(=O)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32N2O4/c1-17(9-5-3-6-10-17)23-15(21)19-13-14-20-16(22)24-18(2)11-7-4-8-12-18/h3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySUBNVMCYIONDJY-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.88
Rot. Bonds5

About (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate

(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate (PubChem CID 59584170) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate.

Molecular Properties

Compound Name(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
PubChem CID59584170
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
SMILESCC1(OC(=O)NCCNC(=O)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C18H32N2O4/c1-17(9-5-3-6-10-17)23-15(21)19-13-14-20-16(22)24-18(2)11-7-4-8-12-18/h3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySUBNVMCYIONDJY-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257839
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
bis(1-methylcyclohexyl) oxalate
CID 154101354
methyl (1-methylcycloheptyl) carbonate
CID 172553116
(1-methylcyclohexyl) acetate;propane
CID 143035856
1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
(1-methylcyclopropyl) N-iodocarbamate
CID 148842002
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
CID 18731139
(1-methylcyclobutyl) acetate
CID 13396130
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864
3-[[(3S)-1,3,5-trimethylcyclooctyl]oxycarbonylamino]propane-1-sulfonic acid
CID 121297053

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate?
The IUPAC name of (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate (CID 59584170) is (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate.
What is the SMILES notation for (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate?
The canonical SMILES for (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate is CC1(OC(=O)NCCNC(=O)OC2(C)CCCCC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate?
The InChIKey is SUBNVMCYIONDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-17(9-5-3-6-10-17)23-15(21)19-13-14-20-16(22)24-18(2)11-7-4-8-12-18/h3-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate?
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate has a molecular weight of 340.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate is sourced from PubChem (CID 59584170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).