[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate

C15H22N2O3 — CID 175031310

IUPAC[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate
SMILESCC(N[C@@H]1CC[C@@H](OC(N)=O)C[C@H]1O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-10(11-5-3-2-4-6-11)17-13-8-7-12(9-14(13)18)20-15(16)19/h2-6,10,12-14,17-18H,7-9H2,1H3,(H2,16,19)/t10?,12-,13-,14-/m1/s1
InChIKeyMZWJPWFCSGMGLG-FYFXECOGSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds4

About [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate

[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate (PubChem CID 175031310) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate
PubChem CID175031310
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate
SMILESCC(N[C@@H]1CC[C@@H](OC(N)=O)C[C@H]1O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-10(11-5-3-2-4-6-11)17-13-8-7-12(9-14(13)18)20-15(16)19/h2-6,10,12-14,17-18H,7-9H2,1H3,(H2,16,19)/t10?,12-,13-,14-/m1/s1
InChIKeyMZWJPWFCSGMGLG-FYFXECOGSA-N
XLogP1.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
[[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]amino] benzoate
CID 147000261
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
ethyl (3R,4R)-3-[[(1S)-1-phenylethyl]amino]oxane-4-carboxylate
CID 86708998
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
CID 118041503

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate?
The IUPAC name of [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate (CID 175031310) is [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate.
What is the SMILES notation for [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate?
The canonical SMILES for [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate is CC(N[C@@H]1CC[C@@H](OC(N)=O)C[C@H]1O)c1ccccc1.
What is the InChIKey of [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate?
The InChIKey is MZWJPWFCSGMGLG-FYFXECOGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(11-5-3-2-4-6-11)17-13-8-7-12(9-14(13)18)20-15(16)19/h2-6,10,12-14,17-18H,7-9H2,1H3,(H2,16,19)/t10?,12-,13-,14-/m1/s1.
What are the key properties of [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate?
[(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4R)-3-hydroxy-4-(1-phenylethylamino)cyclohexyl] carbamate is sourced from PubChem (CID 175031310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).