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

C12H19N3O2 — CID 107075159

IUPAC4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
SMILESCCN(C)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H19N3O2/c1-3-15(2)7-6-14-12(17)9-4-5-10(13)11(16)8-9/h4-5,8,16H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyVWVBIMQWVBRDAH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds5

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

4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide (PubChem CID 107075159) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
PubChem CID107075159
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
SMILESCCN(C)CCNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H19N3O2/c1-3-15(2)7-6-14-12(17)9-4-5-10(13)11(16)8-9/h4-5,8,16H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyVWVBIMQWVBRDAH-UHFFFAOYSA-N
XLogP0.66
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
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-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76947328
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide (CID 107075159) is 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide is CCN(C)CCNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide?
The InChIKey is VWVBIMQWVBRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(2)7-6-14-12(17)9-4-5-10(13)11(16)8-9/h4-5,8,16H,3,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide?
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 107075159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).