N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide

C20H26N4O — CID 5414254

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)18-12-10-17(11-13-18)14-22-23-20(25)15-21-19-9-7-6-8-16(19)3/h6-14,21H,4-5,15H2,1-3H3,(H,23,25)/b22-14-
InChIKeyYZJWOOBQEHIFJG-HMAPJEAMSA-N
MW338.46 g/mol
LogP3.40
Rot. Bonds8

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 5414254) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID5414254
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)18-12-10-17(11-13-18)14-22-23-20(25)15-21-19-9-7-6-8-16(19)3/h6-14,21H,4-5,15H2,1-3H3,(H,23,25)/b22-14-
InChIKeyYZJWOOBQEHIFJG-HMAPJEAMSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 6910799
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6107639
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
2-(3,4-dichloroanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6034971
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
2-chloro-N-[2-[2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3943477
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide (CID 5414254) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide is CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is YZJWOOBQEHIFJG-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24(5-2)18-12-10-17(11-13-18)14-22-23-20(25)15-21-19-9-7-6-8-16(19)3/h6-14,21H,4-5,15H2,1-3H3,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 5414254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).