tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate

C18H34N2O4 — CID 175627299

IUPACtert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
SMILESCCC1(C(=O)N(C)OC)CCC(C)(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4/c1-8-18(14(21)20(6)23-7)11-9-17(5,10-12-18)13-19-15(22)24-16(2,3)4/h8-13H2,1-7H3,(H,19,22)
InChIKeySWACLZWMESBFBI-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.51
Rot. Bonds5

About tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate

tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate (PubChem CID 175627299) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
PubChem CID175627299
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nametert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate
SMILESCCC1(C(=O)N(C)OC)CCC(C)(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4/c1-8-18(14(21)20(6)23-7)11-9-17(5,10-12-18)13-19-15(22)24-16(2,3)4/h8-13H2,1-7H3,(H,19,22)
InChIKeySWACLZWMESBFBI-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[4-(2-azidoacetyl)-4-ethyl-1-methylcyclohexyl]methyl]carbamate
CID 175627767
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
CID 178159968
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
CID 165470929
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate (CID 175627299) is tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate is CCC1(C(=O)N(C)OC)CCC(C)(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate?
The InChIKey is SWACLZWMESBFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-8-18(14(21)20(6)23-7)11-9-17(5,10-12-18)13-19-15(22)24-16(2,3)4/h8-13H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate?
tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate has a molecular weight of 342.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-ethyl-4-[methoxy(methyl)carbamoyl]-1-methylcyclohexyl]methyl]carbamate is sourced from PubChem (CID 175627299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).