benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

C20H23NO4 — CID 11175233

IUPACbenzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1cc2c(cc1OC)CC(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H23NO4/c1-23-18-11-15-8-9-17(10-16(15)12-19(18)24-2)21-20(22)25-13-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,21,22)
InChIKeyQOJVJPDCLGRKRJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.49
Rot. Bonds5

About benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate

benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (PubChem CID 11175233) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
PubChem CID11175233
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebenzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
SMILESCOc1cc2c(cc1OC)CC(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C20H23NO4/c1-23-18-11-15-8-9-17(10-16(15)12-19(18)24-2)21-20(22)25-13-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,21,22)
InChIKeyQOJVJPDCLGRKRJ-UHFFFAOYSA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid
CID 123826983
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CID 70858785
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
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CID 21107071
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
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benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 23298487
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The IUPAC name of benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate (CID 11175233) is benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate.
What is the SMILES notation for benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The canonical SMILES for benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is COc1cc2c(cc1OC)CC(NC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
The InChIKey is QOJVJPDCLGRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-18-11-15-8-9-17(10-16(15)12-19(18)24-2)21-20(22)25-13-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,21,22).
What are the key properties of benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate?
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate is sourced from PubChem (CID 11175233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).