ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate

C22H23NO4 — CID 11485359

IUPACethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1c(-c2ccccc2)ccc2cc(OC)c(OC)cc12
InChIInChI=1S/C22H23NO4/c1-5-27-22(24)23(2)21-17(15-9-7-6-8-10-15)12-11-16-13-19(25-3)20(26-4)14-18(16)21/h6-14H,5H2,1-4H3
InChIKeyPYPGWGKPJLLUMX-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.12
Rot. Bonds5

About ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate

ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate (PubChem CID 11485359) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate
PubChem CID11485359
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)c1c(-c2ccccc2)ccc2cc(OC)c(OC)cc12
InChIInChI=1S/C22H23NO4/c1-5-27-22(24)23(2)21-17(15-9-7-6-8-10-15)12-11-16-13-19(25-3)20(26-4)14-18(16)21/h6-14H,5H2,1-4H3
InChIKeyPYPGWGKPJLLUMX-UHFFFAOYSA-N
XLogP5.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-phenylmethanone
CID 102192327
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
CID 132539283
4,5-dimethoxy-2-phenylbenzamide
CID 141317116
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545
ethyl 5,6-dimethoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102411940
ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
CID 69031566
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
CID 66870694
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
2,6-dimethoxy-3-phenylbenzamide
CID 68897697

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate?
The IUPAC name of ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate (CID 11485359) is ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate is CCOC(=O)N(C)c1c(-c2ccccc2)ccc2cc(OC)c(OC)cc12.
What is the InChIKey of ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate?
The InChIKey is PYPGWGKPJLLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-27-22(24)23(2)21-17(15-9-7-6-8-10-15)12-11-16-13-19(25-3)20(26-4)14-18(16)21/h6-14H,5H2,1-4H3.
What are the key properties of ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate?
ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate has a molecular weight of 365.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6,7-dimethoxy-2-phenylnaphthalen-1-yl)-N-methylcarbamate is sourced from PubChem (CID 11485359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).