naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate

C20H18N2O3 — CID 11002143

IUPACnaphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1cccc(NC(=O)OCc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O3/c1-21-19(23)15-8-5-10-17(12-15)22-20(24)25-13-16-9-4-7-14-6-2-3-11-18(14)16/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPYRYTJVJEUFAJE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.95
Rot. Bonds4

About naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate

naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate (PubChem CID 11002143) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate
PubChem CID11002143
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namenaphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1cccc(NC(=O)OCc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O3/c1-21-19(23)15-8-5-10-17(12-15)22-20(24)25-13-16-9-4-7-14-6-2-3-11-18(14)16/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPYRYTJVJEUFAJE-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
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Methyl 2-[(naphthalen-1-ylacetyl)amino]benzoate
CID 2231029
Methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate
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3-[(17-Ethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl)amino]benzamide
CID 57842563

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate (CID 11002143) is naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate is CNC(=O)c1cccc(NC(=O)OCc2cccc3ccccc23)c1.
What is the InChIKey of naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is PYRYTJVJEUFAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21-19(23)15-8-5-10-17(12-15)22-20(24)25-13-16-9-4-7-14-6-2-3-11-18(14)16/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate?
naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 334.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl N-[3-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 11002143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).