ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate

C14H14N2O2 — CID 5401750

IUPACethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3,(H,16,17)/b15-10-
InChIKeyDJNHWJRCFOPKAK-GDNBJRDFSA-N
MW242.28 g/mol
LogP2.92
Rot. Bonds3

About ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate

ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate (PubChem CID 5401750) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
PubChem CID5401750
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3,(H,16,17)/b15-10-
InChIKeyDJNHWJRCFOPKAK-GDNBJRDFSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 5093637
ethyl N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 6268460
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate (CID 5401750) is ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate is CCOC(=O)N/N=C\c1ccc2ccccc2c1.
What is the InChIKey of ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate?
The InChIKey is DJNHWJRCFOPKAK-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3,(H,16,17)/b15-10-.
What are the key properties of ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate?
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate has a molecular weight of 242.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate is sourced from PubChem (CID 5401750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).