(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate

C22H23NO4 — CID 19873053

IUPAC(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate
SMILESCCOc1cc(OCC)c2cc(-c3ccccc3)ccc2c1OC(=O)NC
InChIInChI=1S/C22H23NO4/c1-4-25-19-14-20(26-5-2)21(27-22(24)23-3)17-12-11-16(13-18(17)19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,23,24)
InChIKeyBOKHITAHLSTIMB-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.02
Rot. Bonds6

About (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate

(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate (PubChem CID 19873053) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate
PubChem CID19873053
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate
SMILESCCOc1cc(OCC)c2cc(-c3ccccc3)ccc2c1OC(=O)NC
InChIInChI=1S/C22H23NO4/c1-4-25-19-14-20(26-5-2)21(27-22(24)23-3)17-12-11-16(13-18(17)19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,23,24)
InChIKeyBOKHITAHLSTIMB-UHFFFAOYSA-N
XLogP5.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxy-7-phenylnaphthalen-1-yl) methyl carbonate
CID 19873102
(2-ethoxy-4-methoxynaphthalen-1-yl) N-methylcarbamate
CID 19872862
[4-(butylcarbamoyloxy)-3-ethoxynaphthalen-1-yl] N-butylcarbamate
CID 19886837
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
CID 19886641
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
[4-(methylcarbamoyloxy)-2,3-diphenoxynaphthalen-1-yl] N-methylcarbamate
CID 14302866
(4-acetyloxy-2,3-dimethoxy-6-phenylnaphthalen-1-yl) acetate
CID 23038229
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210

Frequently Asked Questions

What is the IUPAC name of (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate?
The IUPAC name of (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate (CID 19873053) is (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate.
What is the SMILES notation for (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate?
The canonical SMILES for (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate is CCOc1cc(OCC)c2cc(-c3ccccc3)ccc2c1OC(=O)NC.
What is the InChIKey of (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate?
The InChIKey is BOKHITAHLSTIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-25-19-14-20(26-5-2)21(27-22(24)23-3)17-12-11-16(13-18(17)19)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,23,24).
What are the key properties of (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate?
(2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate has a molecular weight of 365.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethoxy-6-phenylnaphthalen-1-yl) N-methylcarbamate is sourced from PubChem (CID 19873053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).