2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide

C21H27N3O3 — CID 110339969

IUPAC2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCC
InChIInChI=1S/C21H27N3O3/c1-3-5-8-13-27-19-12-11-16(14-20(19)26-4-2)15-23-24-21(25)17-9-6-7-10-18(17)22/h6-7,9-12,14-15H,3-5,8,13,22H2,1-2H3,(H,24,25)/b23-15+
InChIKeyQAWMQSKHBZZRGS-HZHRSRAPSA-N
MW369.47 g/mol
LogP4.00
Rot. Bonds10

About 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide (PubChem CID 110339969) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
PubChem CID110339969
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCC
InChIInChI=1S/C21H27N3O3/c1-3-5-8-13-27-19-12-11-16(14-20(19)26-4-2)15-23-24-21(25)17-9-6-7-10-18(17)22/h6-7,9-12,14-15H,3-5,8,13,22H2,1-2H3,(H,24,25)/b23-15+
InChIKeyQAWMQSKHBZZRGS-HZHRSRAPSA-N
XLogP4.00
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110512029
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide (CID 110339969) is 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide is CCCCCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCC.
What is the InChIKey of 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide?
The InChIKey is QAWMQSKHBZZRGS-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-5-8-13-27-19-12-11-16(14-20(19)26-4-2)15-23-24-21(25)17-9-6-7-10-18(17)22/h6-7,9-12,14-15H,3-5,8,13,22H2,1-2H3,(H,24,25)/b23-15+.
What are the key properties of 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110339969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).