N-benzyl-N-(4-hydroxycyclohexyl)carbamate

C14H18NO3- — CID 91827888

IUPACN-benzyl-N-(4-hydroxycyclohexyl)carbamate
SMILESO=C([O-])N(Cc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15(14(17)18)10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/p-1
InChIKeyPSWAOACYROIQIG-UHFFFAOYSA-M
MW248.30 g/mol
LogP1.14
Rot. Bonds3

About N-benzyl-N-(4-hydroxycyclohexyl)carbamate

N-benzyl-N-(4-hydroxycyclohexyl)carbamate (PubChem CID 91827888) has the molecular formula C14H18NO3- and a molecular weight of 248.30 g/mol. Its IUPAC name is N-benzyl-N-(4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound NameN-benzyl-N-(4-hydroxycyclohexyl)carbamate
PubChem CID91827888
Molecular FormulaC14H18NO3-
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-benzyl-N-(4-hydroxycyclohexyl)carbamate
SMILESO=C([O-])N(Cc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15(14(17)18)10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/p-1
InChIKeyPSWAOACYROIQIG-UHFFFAOYSA-M
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The IUPAC name of N-benzyl-N-(4-hydroxycyclohexyl)carbamate (CID 91827888) is N-benzyl-N-(4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The canonical SMILES for N-benzyl-N-(4-hydroxycyclohexyl)carbamate is O=C([O-])N(Cc1ccccc1)C1CCC(O)CC1.
What is the InChIKey of N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The InChIKey is PSWAOACYROIQIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15(14(17)18)10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)/p-1.
What are the key properties of N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
N-benzyl-N-(4-hydroxycyclohexyl)carbamate has a molecular weight of 248.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 91827888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).