tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate

C23H31NO3 — CID 140983151

IUPACtert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCc1ccccc1)CCc1ccccc1CO
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(15-13-18-9-5-4-6-10-18)16-14-19-11-7-8-12-20(19)17-25/h4-12,21,25H,13-17H2,1-3H3,(H,24,26)
InChIKeyZEUBFXSUFMSSDA-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.64
Rot. Bonds8

About tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate

tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate (PubChem CID 140983151) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
PubChem CID140983151
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCc1ccccc1)CCc1ccccc1CO
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(15-13-18-9-5-4-6-10-18)16-14-19-11-7-8-12-20(19)17-25/h4-12,21,25H,13-17H2,1-3H3,(H,24,26)
InChIKeyZEUBFXSUFMSSDA-UHFFFAOYSA-N
XLogP4.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[(3S)-1-(1,5-diphenylpentan-3-ylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-3-yl]carbamate
CID 130376694
tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
CID 84730429
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
CID 130376749
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[1-(hydroxyamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 74947129
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate (CID 140983151) is tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate is CC(C)(C)OC(=O)NC(CCc1ccccc1)CCc1ccccc1CO.
What is the InChIKey of tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate?
The InChIKey is ZEUBFXSUFMSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(15-13-18-9-5-4-6-10-18)16-14-19-11-7-8-12-20(19)17-25/h4-12,21,25H,13-17H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate?
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate has a molecular weight of 369.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate is sourced from PubChem (CID 140983151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).