[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate

C18H22N2O3 — CID 2740851

IUPAC[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate
SMILESCCCCNC(=O)ON=C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-4-5-10-19-18(21)23-20-13(2)14-6-7-16-12-17(22-3)9-8-15(16)11-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyGPAZSKKKNXDBTG-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.10
Rot. Bonds6

About [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate

[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate (PubChem CID 2740851) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate.

Molecular Properties

Compound Name[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate
PubChem CID2740851
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate
SMILESCCCCNC(=O)ON=C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H22N2O3/c1-4-5-10-19-18(21)23-20-13(2)14-6-7-16-12-17(22-3)9-8-15(16)11-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyGPAZSKKKNXDBTG-UHFFFAOYSA-N
XLogP4.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate?
The IUPAC name of [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate (CID 2740851) is [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate.
What is the SMILES notation for [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate?
The canonical SMILES for [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate is CCCCNC(=O)ON=C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate?
The InChIKey is GPAZSKKKNXDBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-5-10-19-18(21)23-20-13(2)14-6-7-16-12-17(22-3)9-8-15(16)11-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate?
[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate has a molecular weight of 314.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate is sourced from PubChem (CID 2740851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).