N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide

C18H21N3O3 — CID 774295

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)15-8-5-14(17(23)11-15)12-19-20-18(24)13-6-9-16(22)10-7-13/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)
InChIKeyVQZMBSRYJVZAMG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds6

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

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 774295) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID774295
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)c(O)c1
InChIInChI=1S/C18H21N3O3/c1-3-21(4-2)15-8-5-14(17(23)11-15)12-19-20-18(24)13-6-9-16(22)10-7-13/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)
InChIKeyVQZMBSRYJVZAMG-UHFFFAOYSA-N
XLogP2.71
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide (CID 774295) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide is CCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)c(O)c1.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is VQZMBSRYJVZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-21(4-2)15-8-5-14(17(23)11-15)12-19-20-18(24)13-6-9-16(22)10-7-13/h5-12,22-23H,3-4H2,1-2H3,(H,20,24).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 774295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).