ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate

C14H14N2O2 — CID 5399199

IUPACethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,2H2,1H3,(H,16,17)/b15-10-
InChIKeyZIEALNVREIYYPG-GDNBJRDFSA-N
MW242.28 g/mol
LogP2.92
Rot. Bonds3

About ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate

ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate (PubChem CID 5399199) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
PubChem CID5399199
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,2H2,1H3,(H,16,17)/b15-10-
InChIKeyZIEALNVREIYYPG-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'}

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Related Compounds

ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
ethyl 4-[[2-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94846550
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate (CID 5399199) is ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate is CCOC(=O)N/N=C\c1cccc2ccccc12.
What is the InChIKey of ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate?
The InChIKey is ZIEALNVREIYYPG-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-14(17)16-15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,2H2,1H3,(H,16,17)/b15-10-.
What are the key properties of ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate?
ethyl N-[(Z)-naphthalen-1-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-1-ylmethylideneamino]carbamate is sourced from PubChem (CID 5399199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).