tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate

C18H26N2O4 — CID 174567449

IUPACtert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2ccc(OC(N)=O)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)23-16(19)21/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYBRSDIFCUHUUEU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.69
Rot. Bonds3

About tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate

tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate (PubChem CID 174567449) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
PubChem CID174567449
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2ccc(OC(N)=O)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)23-16(19)21/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYBRSDIFCUHUUEU-UHFFFAOYSA-N
XLogP3.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86708265
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tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
CID 71758365
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 71064373
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tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
tert-butyl N-[4-[2-[2-carbamoyloxy-4-(2-hydroxyethyl)phenyl]phenyl]cyclohexyl]carbamate
CID 90240197
methyl 3-cyano-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]anilino]cyclobutane-1-carboxylate
CID 154633975
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
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tert-butyl N-(4-arsanylcyclohexyl)carbamate
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CID 69286066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate (CID 174567449) is tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2ccc(OC(N)=O)cc2)CC1.
What is the InChIKey of tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate?
The InChIKey is YBRSDIFCUHUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-4-12(5-9-14)13-6-10-15(11-7-13)23-16(19)21/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate?
tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate is sourced from PubChem (CID 174567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).