benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate

C17H26N2O3 — CID 134282830

IUPACbenzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
SMILESCN(C)CC1(O)CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3/c1-19(2)13-17(21)10-8-15(9-11-17)18-16(20)22-12-14-6-4-3-5-7-14/h3-7,15,21H,8-13H2,1-2H3,(H,18,20)
InChIKeyVHESXDBSMIOQDL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds5

About benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate

benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate (PubChem CID 134282830) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
PubChem CID134282830
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
SMILESCN(C)CC1(O)CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3/c1-19(2)13-17(21)10-8-15(9-11-17)18-16(20)22-12-14-6-4-3-5-7-14/h3-7,15,21H,8-13H2,1-2H3,(H,18,20)
InChIKeyVHESXDBSMIOQDL-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[1-(dimethylaminosulfanyl)piperidin-4-yl]carbamate
CID 167193874
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[4-[(2-amino-3-methylbutanoyl)-methylamino]cyclohexyl]carbamate
CID 77143795

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate (CID 134282830) is benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate is CN(C)CC1(O)CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate?
The InChIKey is VHESXDBSMIOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(2)13-17(21)10-8-15(9-11-17)18-16(20)22-12-14-6-4-3-5-7-14/h3-7,15,21H,8-13H2,1-2H3,(H,18,20).
What are the key properties of benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate?
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 134282830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).