N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

C21H27N3O3 — CID 6882944

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-24(6-2)18-10-7-16(8-11-18)15-22-23-21(25)14-17-9-12-19(26-3)20(13-17)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+
InChIKeyQTQCTFUGTQPYRZ-PXLXIMEGSA-N
MW369.47 g/mol
LogP3.24
Rot. Bonds9

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 6882944) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID6882944
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-5-24(6-2)18-10-7-16(8-11-18)15-22-23-21(25)14-17-9-12-19(26-3)20(13-17)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+
InChIKeyQTQCTFUGTQPYRZ-PXLXIMEGSA-N
XLogP3.24
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (CID 6882944) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QTQCTFUGTQPYRZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-24(6-2)18-10-7-16(8-11-18)15-22-23-21(25)14-17-9-12-19(26-3)20(13-17)27-4/h7-13,15H,5-6,14H2,1-4H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 6882944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).