5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide

C12H18N2O2 — CID 102704987

IUPAC5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCCO)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)11(13)7-10(8)12(16)14-4-3-5-15/h6-7,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyOQCNNRRDRXYVFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.00
Rot. Bonds4

About 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide

5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide (PubChem CID 102704987) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
PubChem CID102704987
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCCO)cc1N
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)11(13)7-10(8)12(16)14-4-3-5-15/h6-7,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyOQCNNRRDRXYVFI-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
CID 102705947
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
5-amino-2,4-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425136
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide (CID 102704987) is 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCCCO)cc1N.
What is the InChIKey of 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
The InChIKey is OQCNNRRDRXYVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-9(2)11(13)7-10(8)12(16)14-4-3-5-15/h6-7,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide?
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102704987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).