4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide

C13H21N3O2 — CID 18999797

IUPAC4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(17)9-10/h5-6,9,17H,3-4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyJEWNHUDYJHKJJE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds6

About 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide

4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide (PubChem CID 18999797) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
PubChem CID18999797
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H21N3O2/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(17)9-10/h5-6,9,17H,3-4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyJEWNHUDYJHKJJE-UHFFFAOYSA-N
XLogP1.05
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide (CID 18999797) is 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide is CCN(CC)CCNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide?
The InChIKey is JEWNHUDYJHKJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(17)9-10/h5-6,9,17H,3-4,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide?
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 18999797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).