N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide

C20H27N3O3 — CID 67559542

IUPACN-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C20H27N3O3/c1-3-23(4-2)16-10-9-15(19(25)13-16)14-21-11-12-22-20(26)17-7-5-6-8-18(17)24/h5-10,13,21,24-25H,3-4,11-12,14H2,1-2H3,(H,22,26)
InChIKeyJMQNUEKQEKBNJU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.46
Rot. Bonds9

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

N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide (PubChem CID 67559542) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide
PubChem CID67559542
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C20H27N3O3/c1-3-23(4-2)16-10-9-15(19(25)13-16)14-21-11-12-22-20(26)17-7-5-6-8-18(17)24/h5-10,13,21,24-25H,3-4,11-12,14H2,1-2H3,(H,22,26)
InChIKeyJMQNUEKQEKBNJU-UHFFFAOYSA-N
XLogP2.46
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67559134
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67560329
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide (CID 67559542) is N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide is CCN(CC)c1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1.
What is the InChIKey of N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide?
The InChIKey is JMQNUEKQEKBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-23(4-2)16-10-9-15(19(25)13-16)14-21-11-12-22-20(26)17-7-5-6-8-18(17)24/h5-10,13,21,24-25H,3-4,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide?
N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 2.46, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 67559542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).