benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate

C18H28N2O3 — CID 96553859

IUPACbenzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C18H28N2O3/c1-2-20(17-11-7-6-10-16(17)19-12-13-21)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1
InChIKeySQLOZRKRYCJWKC-IRXDYDNUSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds7

About benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate

benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate (PubChem CID 96553859) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
PubChem CID96553859
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C18H28N2O3/c1-2-20(17-11-7-6-10-16(17)19-12-13-21)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1
InChIKeySQLOZRKRYCJWKC-IRXDYDNUSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
CID 66569376
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
CID 71733448
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 70892372

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate (CID 96553859) is benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate is CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO.
What is the InChIKey of benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate?
The InChIKey is SQLOZRKRYCJWKC-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-20(17-11-7-6-10-16(17)19-12-13-21)18(22)23-14-15-8-4-3-5-9-15/h3-5,8-9,16-17,19,21H,2,6-7,10-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate?
benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 96553859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).