naphthalen-1-yl N-methylcarbamate

C24H22N2O4 — CID 23447097

IUPACnaphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.CNC(=O)Oc1cccc2ccccc12
InChIInChI=1S/2C12H11NO2/c2*1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2*2-8H,1H3,(H,13,14)
InChIKeyDCOUVXMKIFFLSC-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.12
Rot. Bonds2

About naphthalen-1-yl N-methylcarbamate

naphthalen-1-yl N-methylcarbamate (PubChem CID 23447097) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is naphthalen-1-yl N-methylcarbamate.

Molecular Properties

Compound Namenaphthalen-1-yl N-methylcarbamate
PubChem CID23447097
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namenaphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.CNC(=O)Oc1cccc2ccccc12
InChIInChI=1S/2C12H11NO2/c2*1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2*2-8H,1H3,(H,13,14)
InChIKeyDCOUVXMKIFFLSC-UHFFFAOYSA-N
XLogP5.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;naphthalen-1-yl N-methylcarbamate
CID 87504977
2-(naphthalen-1-yloxycarbonylamino)acetic acid
CID 82294572
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
CID 71356284
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
3-(4-chlorophenyl)-1,1-dimethylurea;1,1-dimethyl-3-phenylurea;naphthalen-1-yl N-methylcarbamate;2,2,2-trichloroacetic acid
CID 70616665
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl 2-methoxyacetate
CID 19894343
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl N-methylcarbamate?
The IUPAC name of naphthalen-1-yl N-methylcarbamate (CID 23447097) is naphthalen-1-yl N-methylcarbamate.
What is the SMILES notation for naphthalen-1-yl N-methylcarbamate?
The canonical SMILES for naphthalen-1-yl N-methylcarbamate is CNC(=O)Oc1cccc2ccccc12.CNC(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl N-methylcarbamate?
The InChIKey is DCOUVXMKIFFLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO2/c2*1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2*2-8H,1H3,(H,13,14).
What are the key properties of naphthalen-1-yl N-methylcarbamate?
naphthalen-1-yl N-methylcarbamate has a molecular weight of 402.45 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl N-methylcarbamate is sourced from PubChem (CID 23447097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).