4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

C13H19N3O3 — CID 102739507

IUPAC4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-8(12(18)15-2)7-16(3)13(19)9-4-5-10(14)11(17)6-9/h4-6,8,17H,7,14H2,1-3H3,(H,15,18)
InChIKeyNUXIUBXVHNHCKH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds4

About 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 102739507) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID102739507
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H19N3O3/c1-8(12(18)15-2)7-16(3)13(19)9-4-5-10(14)11(17)6-9/h4-6,8,17H,7,14H2,1-3H3,(H,15,18)
InChIKeyNUXIUBXVHNHCKH-UHFFFAOYSA-N
XLogP0.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
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

3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
3-hydroxy-4-iodo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 104629307
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
4-fluoro-N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722238
2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (CID 102739507) is 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)CN(C)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is NUXIUBXVHNHCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(12(18)15-2)7-16(3)13(19)9-4-5-10(14)11(17)6-9/h4-6,8,17H,7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 102739507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).