5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide

C14H23N3O3 — CID 106242211

IUPAC5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H23N3O3/c1-17(2)13-5-4-10(15)8-12(13)14(19)16-7-6-11(18)9-20-3/h4-5,8,11,18H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyYUWXKOHVYUNJJG-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.46
Rot. Bonds7

About 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide

5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide (PubChem CID 106242211) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
PubChem CID106242211
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C14H23N3O3/c1-17(2)13-5-4-10(15)8-12(13)14(19)16-7-6-11(18)9-20-3/h4-5,8,11,18H,6-7,9,15H2,1-3H3,(H,16,19)
InChIKeyYUWXKOHVYUNJJG-UHFFFAOYSA-N
XLogP0.46
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425099
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide (CID 106242211) is 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide is COCC(O)CCNC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide?
The InChIKey is YUWXKOHVYUNJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17(2)13-5-4-10(15)8-12(13)14(19)16-7-6-11(18)9-20-3/h4-5,8,11,18H,6-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide?
5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide is sourced from PubChem (CID 106242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).