4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide

C15H17N3O2 — CID 60876825

IUPAC4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N3O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-8,14,18-19H,9,16H2,(H2,17,20)
InChIKeyVLHWPMQZAHYFJB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds5

About 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide

4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide (PubChem CID 60876825) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
PubChem CID60876825
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N3O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-8,14,18-19H,9,16H2,(H2,17,20)
InChIKeyVLHWPMQZAHYFJB-UHFFFAOYSA-N
XLogP1.51
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Hexadecylamino)benzoic acid
CID 47263
Ethanone, 1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenyl-
CID 95446
Deanol Acetamidobenzoate
CID 19265
4-(Benzoylamino)benzoic acid
CID 252597
4-(Benzylamino)benzoic acid
CID 853546
4-(Butylamino)benzoic acid
CID 95946
4-[(Carboxymethyl)amino]benzoic acid
CID 225483
4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid
CID 817188
4-(Allylamino)benzoic acid
CID 283473
4-(Ethylamino)benzoic acid
CID 2775249
4,4'-Diacetamidobenzoin
CID 267100
Mandelanilide
CID 346169

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide (CID 60876825) is 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide is NC(=O)c1ccc(NCC(O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide?
The InChIKey is VLHWPMQZAHYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-12-5-1-10(2-6-12)14(19)9-18-13-7-3-11(4-8-13)15(17)20/h1-8,14,18-19H,9,16H2,(H2,17,20).
What are the key properties of 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide?
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide is sourced from PubChem (CID 60876825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).