dinaphthalen-2-ylmethyl carbamate

C22H17NO2 — CID 173097882

IUPACdinaphthalen-2-ylmethyl carbamate
SMILESNC(=O)OC(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO2/c23-22(24)25-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H,(H2,23,24)
InChIKeyAKHSIDBQBGRWPX-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.18
Rot. Bonds3

About dinaphthalen-2-ylmethyl carbamate

dinaphthalen-2-ylmethyl carbamate (PubChem CID 173097882) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is dinaphthalen-2-ylmethyl carbamate.

Molecular Properties

Compound Namedinaphthalen-2-ylmethyl carbamate
PubChem CID173097882
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Namedinaphthalen-2-ylmethyl carbamate
SMILESNC(=O)OC(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17NO2/c23-22(24)25-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H,(H2,23,24)
InChIKeyAKHSIDBQBGRWPX-UHFFFAOYSA-N
XLogP5.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
[4-[acetyloxy(naphthalen-2-yl)methyl]phenyl] acetate
CID 25111120
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
2-aminooxy-2-naphthalen-2-ylacetamide
CID 69280551
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
amino(naphthalen-2-yl)methanethiol
CID 116939563
amino(naphthalen-2-yl)methanol
CID 57110079
bis(1-naphthalen-2-ylprop-2-ynyl) carbonate
CID 175442376
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-ylmethyl carbamate?
The IUPAC name of dinaphthalen-2-ylmethyl carbamate (CID 173097882) is dinaphthalen-2-ylmethyl carbamate.
What is the SMILES notation for dinaphthalen-2-ylmethyl carbamate?
The canonical SMILES for dinaphthalen-2-ylmethyl carbamate is NC(=O)OC(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of dinaphthalen-2-ylmethyl carbamate?
The InChIKey is AKHSIDBQBGRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c23-22(24)25-21(19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14,21H,(H2,23,24).
What are the key properties of dinaphthalen-2-ylmethyl carbamate?
dinaphthalen-2-ylmethyl carbamate has a molecular weight of 327.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-ylmethyl carbamate is sourced from PubChem (CID 173097882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).