4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide

C13H18N2O3 — CID 59642161

IUPAC4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
SMILESCOCCOc1ccc(C(=O)NN=C(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-15-13(16)11-4-6-12(7-5-11)18-9-8-17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyOEDHDHCOTMITBC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.84
Rot. Bonds6

About 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide

4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide (PubChem CID 59642161) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
PubChem CID59642161
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
SMILESCOCCOc1ccc(C(=O)NN=C(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-10(2)14-15-13(16)11-4-6-12(7-5-11)18-9-8-17-3/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyOEDHDHCOTMITBC-UHFFFAOYSA-N
XLogP1.84
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide (CID 59642161) is 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide is COCCOc1ccc(C(=O)NN=C(C)C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide?
The InChIKey is OEDHDHCOTMITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)14-15-13(16)11-4-6-12(7-5-11)18-9-8-17-3/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide?
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide is sourced from PubChem (CID 59642161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).