tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate

C23H23NO3 — CID 101149303

IUPACtert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3/c1-23(2,3)27-22(26)24(16-17-9-5-4-6-10-17)21(25)20-14-13-18-11-7-8-12-19(18)15-20/h4-15H,16H2,1-3H3
InChIKeyJQFHHOJXRUHAED-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.42
Rot. Bonds3

About tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate

tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate (PubChem CID 101149303) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
PubChem CID101149303
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Nametert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23NO3/c1-23(2,3)27-22(26)24(16-17-9-5-4-6-10-17)21(25)20-14-13-18-11-7-8-12-19(18)15-20/h4-15H,16H2,1-3H3
InChIKeyJQFHHOJXRUHAED-UHFFFAOYSA-N
XLogP5.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91938097
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CID 101149304
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
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tert-butyl N-benzyl-N-formylcarbamate
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tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
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N-benzyl-N-[(Z)-1-naphthalen-2-yl-2-phenylethenyl]acetamide
CID 102487066
tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
CID 142626450
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
tert-butyl N-benzyl-N-[(E)-1-iodo-2-phenylethenyl]carbamate
CID 154711768
methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58338883
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate (CID 101149303) is tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate?
The InChIKey is JQFHHOJXRUHAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(2,3)27-22(26)24(16-17-9-5-4-6-10-17)21(25)20-14-13-18-11-7-8-12-19(18)15-20/h4-15H,16H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate?
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate has a molecular weight of 361.44 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate is sourced from PubChem (CID 101149303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).