methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate

C14H14N2O3 — CID 730253

IUPACmethyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate
SMILESCOC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-19-14(18)16-15-13(17)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyHONHEYAHVCHWRR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.77
Rot. Bonds2

About methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate

methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate (PubChem CID 730253) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate
PubChem CID730253
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate
SMILESCOC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-19-14(18)16-15-13(17)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyHONHEYAHVCHWRR-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate?
The IUPAC name of methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate (CID 730253) is methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate.
What is the SMILES notation for methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate?
The canonical SMILES for methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate is COC(=O)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate?
The InChIKey is HONHEYAHVCHWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-14(18)16-15-13(17)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate?
methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate has a molecular weight of 258.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-naphthalen-1-ylacetyl)amino]carbamate is sourced from PubChem (CID 730253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).