N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide

C21H27N3O3 — CID 5101110

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C21H27N3O3/c1-4-16-7-11-19(12-8-16)27-15-21(26)23-22-14-17-9-10-18(13-20(17)25)24(5-2)6-3/h7-14,25H,4-6,15H2,1-3H3,(H,23,26)
InChIKeyYUHUCJUCVXUWKB-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.33
Rot. Bonds9

About N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 5101110) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID5101110
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C21H27N3O3/c1-4-16-7-11-19(12-8-16)27-15-21(26)23-22-14-17-9-10-18(13-20(17)25)24(5-2)6-3/h7-14,25H,4-6,15H2,1-3H3,(H,23,26)
InChIKeyYUHUCJUCVXUWKB-UHFFFAOYSA-N
XLogP3.33
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
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

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4633755
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136766572
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 136765232
2-(4-butan-2-ylphenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135678450
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 135647094
2-(2-chlorophenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560550
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135685669
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 917769

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 5101110) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is YUHUCJUCVXUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-16-7-11-19(12-8-16)27-15-21(26)23-22-14-17-9-10-18(13-20(17)25)24(5-2)6-3/h7-14,25H,4-6,15H2,1-3H3,(H,23,26).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 5101110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).