tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate

C21H33NO4 — CID 58027630

IUPACtert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)Cc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C21H33NO4/c1-21(2,3)26-20(24)22-14-18(23)12-17-10-7-11-19(13-17)25-15-16-8-5-4-6-9-16/h7,10-11,13,16,18,23H,4-6,8-9,12,14-15H2,1-3H3,(H,22,24)
InChIKeyCFVNPMICKRZLRV-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.07
Rot. Bonds7

About tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate

tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate (PubChem CID 58027630) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
PubChem CID58027630
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Nametert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)Cc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C21H33NO4/c1-21(2,3)26-20(24)22-14-18(23)12-17-10-7-11-19(13-17)25-15-16-8-5-4-6-9-16/h7,10-11,13,16,18,23H,4-6,8-9,12,14-15H2,1-3H3,(H,22,24)
InChIKeyCFVNPMICKRZLRV-UHFFFAOYSA-N
XLogP4.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69097479
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CID 170881542
4-[[3-(cyclohexylmethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
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tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
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tert-butyl N-[1-(cyclohexylamino)-1-oxo-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate
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tert-butyl N-[(3R)-3-hydroxy-3-[3-(thian-3-ylmethoxy)phenyl]propyl]carbamate
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1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
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2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
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tert-butyl N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]carbamate
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CID 144899236

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate (CID 58027630) is tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(O)Cc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate?
The InChIKey is CFVNPMICKRZLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-21(2,3)26-20(24)22-14-18(23)12-17-10-7-11-19(13-17)25-15-16-8-5-4-6-9-16/h7,10-11,13,16,18,23H,4-6,8-9,12,14-15H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate?
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate has a molecular weight of 363.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 58027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).