tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid

C23H31NO3 — CID 71269237

IUPACtert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CCCc1ccccc1CO)Cc1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)24(22(26)27)21(16-18-10-5-4-6-11-18)15-9-14-19-12-7-8-13-20(19)17-25/h4-8,10-13,21,25H,9,14-17H2,1-3H3,(H,26,27)
InChIKeyAPCOODQOQNUBBL-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.89
Rot. Bonds8

About tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid

tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid (PubChem CID 71269237) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid
PubChem CID71269237
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CCCc1ccccc1CO)Cc1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)24(22(26)27)21(16-18-10-5-4-6-11-18)15-9-14-19-12-7-8-13-20(19)17-25/h4-8,10-13,21,25H,9,14-17H2,1-3H3,(H,26,27)
InChIKeyAPCOODQOQNUBBL-UHFFFAOYSA-N
XLogP4.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68898508
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
tert-butyl-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66716676
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
tert-butyl-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67430309
[(2S)-4-[benzyl-[(3S)-3-[tert-butyl(carboxy)amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-tert-butylcarbamic acid
CID 57367540
[1-[[2-(bromomethyl)phenyl]methoxy]-3-(4-bromophenyl)propan-2-yl]-tert-butylcarbamic acid
CID 67418645
[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
tert-butyl-[3-hydroxy-4-[(2-methylpropan-2-yl)oxyamino]-1-phenylbutan-2-yl]carbamic acid
CID 91123119
[(2S)-1-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylamino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 57063701
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl-[(2S,3R)-3-hydroxy-1-phenyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-yl]carbamic acid
CID 90782476

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid (CID 71269237) is tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid is CC(C)(C)N(C(=O)O)C(CCCc1ccccc1CO)Cc1ccccc1.
What is the InChIKey of tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid?
The InChIKey is APCOODQOQNUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-23(2,3)24(22(26)27)21(16-18-10-5-4-6-11-18)15-9-14-19-12-7-8-13-20(19)17-25/h4-8,10-13,21,25H,9,14-17H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid?
tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid has a molecular weight of 369.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[2-(hydroxymethyl)phenyl]-1-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 71269237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).