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

C13H19N3O2 — CID 135710875

IUPAC2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(N)=O)c(O)c1
InChIInChI=1S/C13H19N3O2/c1-3-16(4-2)11-6-5-10(12(17)7-11)8-15-9-13(14)18/h5-8,17H,3-4,9H2,1-2H3,(H2,14,18)/b15-8+
InChIKeyYBWHTWHONSYSLA-OVCLIPMQSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds6

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

2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 135710875) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID135710875
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(N)=O)c(O)c1
InChIInChI=1S/C13H19N3O2/c1-3-16(4-2)11-6-5-10(12(17)7-11)8-15-9-13(14)18/h5-8,17H,3-4,9H2,1-2H3,(H2,14,18)/b15-8+
InChIKeyYBWHTWHONSYSLA-OVCLIPMQSA-N
XLogP1.14
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 135774407
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
2-[(E)-[[amino(sulfanyl)methyl]hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 142921630
(1S)-2,2-dibromo-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 135867498
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
(1R)-2,2-dichloro-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 135958110
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 135710875) is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(/C=N/CC(N)=O)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is YBWHTWHONSYSLA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(4-2)11-6-5-10(12(17)7-11)8-15-9-13(14)18/h5-8,17H,3-4,9H2,1-2H3,(H2,14,18)/b15-8+.
What are the key properties of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 135710875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).