methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate

C15H16N2O3 — CID 5349899

IUPACmethyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)OC
InChIInChI=1S/C15H16N2O3/c1-3-20-14-9-8-11-6-4-5-7-12(11)13(14)10-16-17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-
InChIKeyJUGKLBUWCIOZDH-YBEGLDIGSA-N
MW272.30 g/mol
LogP2.93
Rot. Bonds4

About methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate

methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate (PubChem CID 5349899) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate
PubChem CID5349899
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)OC
InChIInChI=1S/C15H16N2O3/c1-3-20-14-9-8-11-6-4-5-7-12(11)13(14)10-16-17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-
InChIKeyJUGKLBUWCIOZDH-YBEGLDIGSA-N
XLogP2.93
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237296
methyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237329
ethyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237330
[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]thiourea
CID 6875577
4-Methoxy-1-naphthaldehyde thiosemicarbazone
CID 5331531
5-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 162674581
N-[(1E)-2-(4-phenoxyphenyl)-1-azavinyl]methoxycarboxamide
CID 6904591
(2E)-2-[2-(naphthalen-1-ylmethoxy)benzylidene]hydrazinecarboxamide
CID 9642160
ethyl N-[(4-phenoxyphenyl)methylideneamino]carbamate
CID 9677991
methyl (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237294
2-(Allyloxy)-1-naphthaldehyde oxime
CID 9581792
2-{(E)-1-[2-(Benzyloxy)-1-naphthyl]methylidene}-1-hydrazinecarbothioamide
CID 9617185

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate (CID 5349899) is methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate is CCOc1ccc2ccccc2c1/C=N\NC(=O)OC.
What is the InChIKey of methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate?
The InChIKey is JUGKLBUWCIOZDH-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-14-9-8-11-6-4-5-7-12(11)13(14)10-16-17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-.
What are the key properties of methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate?
methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate has a molecular weight of 272.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]carbamate is sourced from PubChem (CID 5349899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).