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

C14H22N2O2 — CID 102705958

IUPAC5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
SMILESCCC(O)CCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-11(17)5-6-16-14(18)12-8-13(15)10(3)7-9(12)2/h7-8,11,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyZAKXFBVAIPEUSV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds5

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

5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide (PubChem CID 102705958) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
PubChem CID102705958
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
SMILESCCC(O)CCNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-11(17)5-6-16-14(18)12-8-13(15)10(3)7-9(12)2/h7-8,11,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyZAKXFBVAIPEUSV-UHFFFAOYSA-N
XLogP1.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
CID 102705947
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide (CID 102705958) is 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide is CCC(O)CCNC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide?
The InChIKey is ZAKXFBVAIPEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(17)5-6-16-14(18)12-8-13(15)10(3)7-9(12)2/h7-8,11,17H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide?
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).