N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide

C21H28N4O2 — CID 135717450

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CNc2c(C)cccc2C)c(O)c1
InChIInChI=1S/C21H28N4O2/c1-5-25(6-2)18-11-10-17(19(26)12-18)13-23-24-20(27)14-22-21-15(3)8-7-9-16(21)4/h7-13,22,26H,5-6,14H2,1-4H3,(H,24,27)/b23-13+
InChIKeyKGQARGXIBVWXMY-YDZHTSKRSA-N
MW368.48 g/mol
LogP3.42
Rot. Bonds8

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide (PubChem CID 135717450) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
PubChem CID135717450
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CNc2c(C)cccc2C)c(O)c1
InChIInChI=1S/C21H28N4O2/c1-5-25(6-2)18-11-10-17(19(26)12-18)13-23-24-20(27)14-22-21-15(3)8-7-9-16(21)4/h7-13,22,26H,5-6,14H2,1-4H3,(H,24,27)/b23-13+
InChIKeyKGQARGXIBVWXMY-YDZHTSKRSA-N
XLogP3.42
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
2-(3-chloro-2-methylanilino)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560101
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 136816632
2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136896528
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 135745573
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 136721213
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide (CID 135717450) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide is CCN(CC)c1ccc(/C=N/NC(=O)CNc2c(C)cccc2C)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide?
The InChIKey is KGQARGXIBVWXMY-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-25(6-2)18-11-10-17(19(26)12-18)13-23-24-20(27)14-22-21-15(3)8-7-9-16(21)4/h7-13,22,26H,5-6,14H2,1-4H3,(H,24,27)/b23-13+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 135717450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).