2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H17N3O3 — CID 107074115

IUPAC2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H17N3O3/c1-3-15(7-11(17)14-2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyCCKYFXFFXDKSSA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.18
Rot. Bonds4

About 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide

2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 107074115) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID107074115
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H17N3O3/c1-3-15(7-11(17)14-2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyCCKYFXFFXDKSSA-UHFFFAOYSA-N
XLogP0.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-4-methoxybenzamide
CID 60717216
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 107074115) is 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide is CCN(CC(=O)NC)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is CCKYFXFFXDKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(7-11(17)14-2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 107074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).