ethyl N-[(3-methylphenyl)methylideneamino]carbamate

C11H14N2O2 — CID 2692645

IUPACethyl N-[(3-methylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1cccc(C)c1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyHOYWMSMEQQDLIG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds3

About ethyl N-[(3-methylphenyl)methylideneamino]carbamate

ethyl N-[(3-methylphenyl)methylideneamino]carbamate (PubChem CID 2692645) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl N-[(3-methylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylphenyl)methylideneamino]carbamate
PubChem CID2692645
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl N-[(3-methylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1cccc(C)c1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyHOYWMSMEQQDLIG-UHFFFAOYSA-N
XLogP2.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
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)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
ethyl N-[(3,5-dimethoxyphenyl)methylideneamino]carbamate
CID 2643044

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(3-methylphenyl)methylideneamino]carbamate (CID 2692645) is ethyl N-[(3-methylphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(3-methylphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(3-methylphenyl)methylideneamino]carbamate is CCOC(=O)NN=Cc1cccc(C)c1.
What is the InChIKey of ethyl N-[(3-methylphenyl)methylideneamino]carbamate?
The InChIKey is HOYWMSMEQQDLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[(3-methylphenyl)methylideneamino]carbamate?
ethyl N-[(3-methylphenyl)methylideneamino]carbamate has a molecular weight of 206.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 2692645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).