benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate

C20H30AsNO4 — CID 173258206

IUPACbenzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate
SMILESCC(C)(C)OC(=O)NC1CCCC(C[AsH]C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30AsNO4/c1-20(2,3)26-19(24)22-17-11-7-10-16(12-17)13-21-18(23)25-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,21H,7,10-14H2,1-3H3,(H,22,24)
InChIKeyCMILBWUSUWZKFF-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.26
Rot. Bonds6

About benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate

benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate (PubChem CID 173258206) has the molecular formula C20H30AsNO4 and a molecular weight of 423.39 g/mol. Its IUPAC name is benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate.

Molecular Properties

Compound Namebenzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate
PubChem CID173258206
Molecular FormulaC20H30AsNO4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Namebenzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate
SMILESCC(C)(C)OC(=O)NC1CCCC(C[AsH]C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H30AsNO4/c1-20(2,3)26-19(24)22-17-11-7-10-16(12-17)13-21-18(23)25-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,21H,7,10-14H2,1-3H3,(H,22,24)
InChIKeyCMILBWUSUWZKFF-UHFFFAOYSA-N
XLogP4.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
benzyl N-[(1S,3R)-3-aminocyclohexyl]carbamate;benzyl N-[(1S,3R)-3-methylcyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 162036532
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl N-[(1S,2R,4R)-2-formyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 89152374
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969

Frequently Asked Questions

What is the IUPAC name of benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate?
The IUPAC name of benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate (CID 173258206) is benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate.
What is the SMILES notation for benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate?
The canonical SMILES for benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate is CC(C)(C)OC(=O)NC1CCCC(C[AsH]C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate?
The InChIKey is CMILBWUSUWZKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30AsNO4/c1-20(2,3)26-19(24)22-17-11-7-10-16(12-17)13-21-18(23)25-14-15-8-5-4-6-9-15/h4-6,8-9,16-17,21H,7,10-14H2,1-3H3,(H,22,24).
What are the key properties of benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate?
benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate has a molecular weight of 423.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylarsanylformate is sourced from PubChem (CID 173258206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).