benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate

C24H40N2O4 — CID 69198867

IUPACbenzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
SMILESCN(CCO)CCCCCCOC1CCC(N(C)C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H40N2O4/c1-25(17-18-27)16-8-3-4-9-19-29-23-14-12-22(13-15-23)26(2)24(28)30-20-21-10-6-5-7-11-21/h5-7,10-11,22-23,27H,3-4,8-9,12-20H2,1-2H3
InChIKeyABTWXYFWTBZBEN-UHFFFAOYSA-N
MW420.59 g/mol
LogP4.07
Rot. Bonds13

About benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate

benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate (PubChem CID 69198867) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
PubChem CID69198867
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Namebenzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
SMILESCN(CCO)CCCCCCOC1CCC(N(C)C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H40N2O4/c1-25(17-18-27)16-8-3-4-9-19-29-23-14-12-22(13-15-23)26(2)24(28)30-20-21-10-6-5-7-11-21/h5-7,10-11,22-23,27H,3-4,8-9,12-20H2,1-2H3
InChIKeyABTWXYFWTBZBEN-UHFFFAOYSA-N
XLogP4.07
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
[4-[5-(dimethylamino)pentoxy]cyclohexyl]-methylcarbamic acid
CID 22567642

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate (CID 69198867) is benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate is CN(CCO)CCCCCCOC1CCC(N(C)C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The InChIKey is ABTWXYFWTBZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c1-25(17-18-27)16-8-3-4-9-19-29-23-14-12-22(13-15-23)26(2)24(28)30-20-21-10-6-5-7-11-21/h5-7,10-11,22-23,27H,3-4,8-9,12-20H2,1-2H3.
What are the key properties of benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate has a molecular weight of 420.59 g/mol, XLogP of 4.07, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[6-[2-hydroxyethyl(methyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 69198867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).