benzyl (3-cyclohexylpropanoylamino) carbonate

C17H23NO4 — CID 177376013

IUPACbenzyl (3-cyclohexylpropanoylamino) carbonate
SMILESO=C(CCC1CCCCC1)NOC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c19-16(12-11-14-7-3-1-4-8-14)18-22-17(20)21-13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,19)
InChIKeySLIMXUDAVNTPNG-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.73
Rot. Bonds5

About benzyl (3-cyclohexylpropanoylamino) carbonate

benzyl (3-cyclohexylpropanoylamino) carbonate (PubChem CID 177376013) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl (3-cyclohexylpropanoylamino) carbonate.

Molecular Properties

Compound Namebenzyl (3-cyclohexylpropanoylamino) carbonate
PubChem CID177376013
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl (3-cyclohexylpropanoylamino) carbonate
SMILESO=C(CCC1CCCCC1)NOC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO4/c19-16(12-11-14-7-3-1-4-8-14)18-22-17(20)21-13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,19)
InChIKeySLIMXUDAVNTPNG-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 54584001
CID 54584001
CID 563203
CID 563203
CID 46837462
CID 46837462
CID 89850659
CID 89850659
CID 3686111
CID 3686111
CID 46837587
CID 46837587
CID 169494390
CID 169494390
CID 177376012
CID 177376012
CID 177376014
CID 177376014
CID 177376015
CID 177376015
CID 177376016
CID 177376016
CID 177376023
CID 177376023

Frequently Asked Questions

What is the IUPAC name of benzyl (3-cyclohexylpropanoylamino) carbonate?
The IUPAC name of benzyl (3-cyclohexylpropanoylamino) carbonate (CID 177376013) is benzyl (3-cyclohexylpropanoylamino) carbonate.
What is the SMILES notation for benzyl (3-cyclohexylpropanoylamino) carbonate?
The canonical SMILES for benzyl (3-cyclohexylpropanoylamino) carbonate is O=C(CCC1CCCCC1)NOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3-cyclohexylpropanoylamino) carbonate?
The InChIKey is SLIMXUDAVNTPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(12-11-14-7-3-1-4-8-14)18-22-17(20)21-13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,19).
What are the key properties of benzyl (3-cyclohexylpropanoylamino) carbonate?
benzyl (3-cyclohexylpropanoylamino) carbonate has a molecular weight of 305.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3-cyclohexylpropanoylamino) carbonate is sourced from PubChem (CID 177376013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).