(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate

C20H19NO4 — CID 19873104

IUPAC(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
SMILESCOc1cc(OC)c2ccccc2c1OC(=O)NCc1ccccc1
InChIInChI=1S/C20H19NO4/c1-23-17-12-18(24-2)19(16-11-7-6-10-15(16)17)25-20(22)21-13-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyHFMPLSUCAFNWOT-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.15
Rot. Bonds5

About (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate

(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate (PubChem CID 19873104) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
PubChem CID19873104
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
SMILESCOc1cc(OC)c2ccccc2c1OC(=O)NCc1ccccc1
InChIInChI=1S/C20H19NO4/c1-23-17-12-18(24-2)19(16-11-7-6-10-15(16)17)25-20(22)21-13-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyHFMPLSUCAFNWOT-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
CID 110775172
benzene;ethyl N-benzylcarbamate
CID 67715166
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
(4-methylphenyl) N-benzylcarbamate
CID 14292552
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-benzyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284089
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
CID 154144310
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate?
The IUPAC name of (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate (CID 19873104) is (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate.
What is the SMILES notation for (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate?
The canonical SMILES for (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate is COc1cc(OC)c2ccccc2c1OC(=O)NCc1ccccc1.
What is the InChIKey of (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate?
The InChIKey is HFMPLSUCAFNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-12-18(24-2)19(16-11-7-6-10-15(16)17)25-20(22)21-13-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate?
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate has a molecular weight of 337.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate is sourced from PubChem (CID 19873104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).