5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide

C13H21N3O2 — CID 83176982

IUPAC5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(6-7-17)15-13(18)11-8-10(14)4-5-12(11)16(2)3/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyBKYAULUMUQXVLQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide

5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 83176982) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID83176982
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-9(6-7-17)15-13(18)11-8-10(14)4-5-12(11)16(2)3/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyBKYAULUMUQXVLQ-UHFFFAOYSA-N
XLogP0.84
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
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5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
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5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
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2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83177939
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide (CID 83176982) is 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is BKYAULUMUQXVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(6-7-17)15-13(18)11-8-10(14)4-5-12(11)16(2)3/h4-5,8-9,17H,6-7,14H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide?
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 83176982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).