ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate

C15H16N2O3 — CID 6898993

IUPACethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1c(OC)ccc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-3-20-15(18)17-16-10-13-12-7-5-4-6-11(12)8-9-14(13)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10+
InChIKeySMZMKJAVUHFLIV-MHWRWJLKSA-N
MW272.30 g/mol
LogP2.93
Rot. Bonds4

About ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate

ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate (PubChem CID 6898993) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
PubChem CID6898993
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1c(OC)ccc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-3-20-15(18)17-16-10-13-12-7-5-4-6-11(12)8-9-14(13)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10+
InChIKeySMZMKJAVUHFLIV-MHWRWJLKSA-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'}

Analyze ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]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

2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 5414413
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901141
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate (CID 6898993) is ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1c(OC)ccc2ccccc12.
What is the InChIKey of ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate?
The InChIKey is SMZMKJAVUHFLIV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(18)17-16-10-13-12-7-5-4-6-11(12)8-9-14(13)19-2/h4-10H,3H2,1-2H3,(H,17,18)/b16-10+.
What are the key properties of ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate?
ethyl N-[(E)-(2-methoxynaphthalen-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 ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate is sourced from PubChem (CID 6898993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).