tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate

C20H25NO3 — CID 4066083

IUPACtert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)
InChIKeyOGVCRJDQGBIHAG-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate

tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate (PubChem CID 4066083) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
PubChem CID4066083
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)
InChIKeyOGVCRJDQGBIHAG-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
Aminodiol deriv. 15a
CID 455712
propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butylsulfanyl)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455717
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-[(tert-butylcarbamoyl)amino]-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455718
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-[(3-methylbutyl)carbamoyl]-1-phenylpentan-2-yl]carbamate
CID 5480981
L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452451
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis(((1,1-dimethylethoxy)carbonyl)amino)-1,6-diphenyl-
CID 452453
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate (CID 4066083) is tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate?
The InChIKey is OGVCRJDQGBIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate?
tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate has a molecular weight of 327.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1,1-diphenylpropan-2-yl)carbamate is sourced from PubChem (CID 4066083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).