[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate

C15H28N2O4 — CID 176736316

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-16-13(18)20-10-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyPKAQRCIQVIFJDW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.82
Rot. Bonds4

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate (PubChem CID 176736316) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate
PubChem CID176736316
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-16-13(18)20-10-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyPKAQRCIQVIFJDW-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]cyclohexyl]carbamate
CID 170442416
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate (CID 176736316) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate is CCNC(=O)OCC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate?
The InChIKey is PKAQRCIQVIFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-16-13(18)20-10-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate has a molecular weight of 300.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl N-ethylcarbamate is sourced from PubChem (CID 176736316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).