tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate

C17H26N2O4 — CID 75408320

IUPACtert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
SMILESCN(C(=O)c1ccco1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-7-9-13(10-8-12)19(4)15(20)14-6-5-11-22-14/h5-6,11-13H,7-10H2,1-4H3,(H,18,21)
InChIKeyVTGIVRNVCHROPH-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate (PubChem CID 75408320) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
PubChem CID75408320
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate
SMILESCN(C(=O)c1ccco1)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-7-9-13(10-8-12)19(4)15(20)14-6-5-11-22-14/h5-6,11-13H,7-10H2,1-4H3,(H,18,21)
InChIKeyVTGIVRNVCHROPH-UHFFFAOYSA-N
XLogP3.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[carbamothioyl(methyl)amino]cyclohexyl]carbamate
CID 141083473
N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
tert-butyl N-[(3aS,4R,6aS)-2-(furan-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100899117
tert-butyl N-[4-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 111993137
tert-butyl N-[4-[[N-ethyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 110055376
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate (CID 75408320) is tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate is CN(C(=O)c1ccco1)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate?
The InChIKey is VTGIVRNVCHROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)18-12-7-9-13(10-8-12)19(4)15(20)14-6-5-11-22-14/h5-6,11-13H,7-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[furan-2-carbonyl(methyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 75408320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).