2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate

C24H46N2O2 — CID 71191343

IUPAC2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C24H46N2O2/c1-3-5-16-26(17-6-4-2)18-19-28-24(27)25-23-14-12-22(13-15-23)20-21-10-8-7-9-11-21/h21-23H,3-20H2,1-2H3,(H,25,27)
InChIKeyIAKPOPMZRZABOW-UHFFFAOYSA-N
MW394.64 g/mol
LogP6.14
Rot. Bonds12

About 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate

2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate (PubChem CID 71191343) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
PubChem CID71191343
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)NC1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C24H46N2O2/c1-3-5-16-26(17-6-4-2)18-19-28-24(27)25-23-14-12-22(13-15-23)20-21-10-8-7-9-11-21/h21-23H,3-20H2,1-2H3,(H,25,27)
InChIKeyIAKPOPMZRZABOW-UHFFFAOYSA-N
XLogP6.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 756999
4,4'-Methylenebis(N-butoxycarbonylcyclohexanamine)
CID 11742316
tert-butyl N-[(1S)-1-cyclohexyl-2-morpholin-4-ylethyl]carbamate
CID 10859933
heptyl N-{4-[(4-{[(heptyloxy)carbonyl]amino}cyclohexyl)methyl]cyclohexyl}carbamate
CID 3439383
Ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 2931096
2-[(2-amino-2-cyclohexylethyl)-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate
CID 15734770
[4-[[4-[Carboxy(2-methoxyethyl)amino]cyclohexyl]methyl]cyclohexyl]-(2-methoxyethyl)carbamic acid
CID 18954162
Bis(4-octoxycarbonylaminocyclohexyl)methane
CID 20429700
propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 20498402
propyl N-[4-[[4-(propoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 22085972
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
CID 22253998
butyl N-[4-[2-[4-(butoxycarbonylamino)cyclohexyl]propan-2-yl]cyclohexyl]carbamate
CID 54004183

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The IUPAC name of 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate (CID 71191343) is 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate.
What is the SMILES notation for 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The canonical SMILES for 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate is CCCCN(CCCC)CCOC(=O)NC1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
The InChIKey is IAKPOPMZRZABOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-3-5-16-26(17-6-4-2)18-19-28-24(27)25-23-14-12-22(13-15-23)20-21-10-8-7-9-11-21/h21-23H,3-20H2,1-2H3,(H,25,27).
What are the key properties of 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate?
2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate has a molecular weight of 394.64 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate is sourced from PubChem (CID 71191343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).