tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate

C22H34N2O3 — CID 154681381

IUPACtert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H34N2O3/c1-22(2,3)27-21(25)24-19-13-14-23-20(19)15-26-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3,(H,24,25)
InChIKeyBWKRBGBMUWCHRB-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.98
Rot. Bonds5

About tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate

tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate (PubChem CID 154681381) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
PubChem CID154681381
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nametert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H34N2O3/c1-22(2,3)27-21(25)24-19-13-14-23-20(19)15-26-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3,(H,24,25)
InChIKeyBWKRBGBMUWCHRB-UHFFFAOYSA-N
XLogP3.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 155054694
(2R)-2-[2-[4-[[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoic acid
CID 156687869
ethyl (2R)-2-[2-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]methoxy]cyclohexyl]phenoxy]propanoate
CID 175829005
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
CID 154681369
2-[2-[4-[[(2R,3S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylamino]pyrrolidin-2-yl]methoxy]cyclohexyl]phenoxy]acetic acid
CID 164579972
tert-butyl (2S,3S)-3-hydroxy-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 142524688
tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 142524678
tert-butyl N-(2-oxo-5-phenylpiperidin-3-yl)carbamate
CID 123848326
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[2-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 84811886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate (CID 154681381) is tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCNC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate?
The InChIKey is BWKRBGBMUWCHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-22(2,3)27-21(25)24-19-13-14-23-20(19)15-26-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate has a molecular weight of 374.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 154681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).