benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate

C19H16N2O3 — CID 137227571

IUPACbenzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18-11-10-15-8-4-5-9-16(15)17(18)12-20-21-19(23)24-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23)/b20-12+
InChIKeyCMZLPPNTLPDRME-UDWIEESQSA-N
MW320.35 g/mol
LogP3.81
Rot. Bonds4

About benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate

benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate (PubChem CID 137227571) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
PubChem CID137227571
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namebenzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18-11-10-15-8-4-5-9-16(15)17(18)12-20-21-19(23)24-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23)/b20-12+
InChIKeyCMZLPPNTLPDRME-UDWIEESQSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The IUPAC name of benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate (CID 137227571) is benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate.
What is the SMILES notation for benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The canonical SMILES for benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate is O=C(N/N=C/c1c(O)ccc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
The InChIKey is CMZLPPNTLPDRME-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18-11-10-15-8-4-5-9-16(15)17(18)12-20-21-19(23)24-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23)/b20-12+.
What are the key properties of benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate?
benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate has a molecular weight of 320.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate is sourced from PubChem (CID 137227571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).