propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C21H38N2O4 — CID 22085972

IUPACpropyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCC)CC2)CC1
InChIInChI=1S/C21H38N2O4/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h16-19H,3-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDVCYEUDXTIMZTN-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.77
Rot. Bonds8

About propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 22085972) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID22085972
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Namepropyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCC)CC2)CC1
InChIInChI=1S/C21H38N2O4/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h16-19H,3-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDVCYEUDXTIMZTN-UHFFFAOYSA-N
XLogP4.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 22085972) is propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is CCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCC)CC2)CC1.
What is the InChIKey of propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is DVCYEUDXTIMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h16-19H,3-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 382.55 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 22085972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).