ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate

C13H18N2O4 — CID 2590100

IUPACethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(OCC)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-18-11-7-6-10(8-12(11)17-3)9-14-15-13(16)19-5-2/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyNHGBKSNKTUVXLE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.17
Rot. Bonds6

About ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate

ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate (PubChem CID 2590100) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
PubChem CID2590100
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(OCC)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-18-11-7-6-10(8-12(11)17-3)9-14-15-13(16)19-5-2/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyNHGBKSNKTUVXLE-UHFFFAOYSA-N
XLogP2.17
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
CID 4562133
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate (CID 2590100) is ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate is CCOC(=O)NN=Cc1ccc(OCC)c(OC)c1.
What is the InChIKey of ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is NHGBKSNKTUVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-18-11-7-6-10(8-12(11)17-3)9-14-15-13(16)19-5-2/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate?
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate has a molecular weight of 266.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 2590100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).