N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide

C12H17N3O2 — CID 135684111

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide
SMILESCCN(CC)c1ccc(/C=N/NC=O)c(O)c1
InChIInChI=1S/C12H17N3O2/c1-3-15(4-2)11-6-5-10(12(17)7-11)8-13-14-9-16/h5-9,17H,3-4H2,1-2H3,(H,14,16)/b13-8+
InChIKeyJCMOXKSSPOGZFA-MDWZMJQESA-N
MW235.29 g/mol
LogP1.32
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide (PubChem CID 135684111) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide
PubChem CID135684111
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide
SMILESCCN(CC)c1ccc(/C=N/NC=O)c(O)c1
InChIInChI=1S/C12H17N3O2/c1-3-15(4-2)11-6-5-10(12(17)7-11)8-13-14-9-16/h5-9,17H,3-4H2,1-2H3,(H,14,16)/b13-8+
InChIKeyJCMOXKSSPOGZFA-MDWZMJQESA-N
XLogP1.32
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide (CID 135684111) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide is CCN(CC)c1ccc(/C=N/NC=O)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide?
The InChIKey is JCMOXKSSPOGZFA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-15(4-2)11-6-5-10(12(17)7-11)8-13-14-9-16/h5-9,17H,3-4H2,1-2H3,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide has a molecular weight of 235.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]formamide is sourced from PubChem (CID 135684111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).