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

C14H18N4O2 — CID 2315436

IUPAC2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CC#N)c(O)c1
InChIInChI=1S/C14H18N4O2/c1-3-18(4-2)12-6-5-11(13(19)9-12)10-16-17-14(20)7-8-15/h5-6,9-10,19H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyVRFDYMOYGDMMJY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds6

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

2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 2315436) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID2315436
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CC#N)c(O)c1
InChIInChI=1S/C14H18N4O2/c1-3-18(4-2)12-6-5-11(13(19)9-12)10-16-17-14(20)7-8-15/h5-6,9-10,19H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyVRFDYMOYGDMMJY-UHFFFAOYSA-N
XLogP1.60
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
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'}

Analyze 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4633755
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

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 2315436) is 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(C=NNC(=O)CC#N)c(O)c1.
What is the InChIKey of 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is VRFDYMOYGDMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18(4-2)12-6-5-11(13(19)9-12)10-16-17-14(20)7-8-15/h5-6,9-10,19H,3-4,7H2,1-2H3,(H,17,20).
What are the key properties of 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 2315436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).