tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate

C19H23NO4 — CID 174358419

IUPACtert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C(C)(O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO4/c1-18(2,3)24-17(22)20-16(21)19(4,23)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,23H,12H2,1-4H3,(H,20,21,22)
InChIKeyCHBCAPWGYHGAIF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate

tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate (PubChem CID 174358419) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate
PubChem CID174358419
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nametert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C(C)(O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO4/c1-18(2,3)24-17(22)20-16(21)19(4,23)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,23H,12H2,1-4H3,(H,20,21,22)
InChIKeyCHBCAPWGYHGAIF-UHFFFAOYSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
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2,2-dimethyl-3-naphthalen-1-ylpropanamide
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tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
CID 70370260
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
2,2,2-trifluoro-N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 87160915
2-methyl-2-(naphthalen-1-ylmethyl)butanedioic acid
CID 19928713
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate (CID 174358419) is tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate is CC(C)(C)OC(=O)NC(=O)C(C)(O)Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate?
The InChIKey is CHBCAPWGYHGAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-18(2,3)24-17(22)20-16(21)19(4,23)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,23H,12H2,1-4H3,(H,20,21,22).
What are the key properties of tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate?
tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate has a molecular weight of 329.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate is sourced from PubChem (CID 174358419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).