4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide

C16H25NO2 — CID 96666562

IUPAC4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)NCCCO
InChIInChI=1S/C16H25NO2/c1-11-9-13(16(3,4)5)10-12(2)14(11)15(19)17-7-6-8-18/h9-10,18H,6-8H2,1-5H3,(H,17,19)
InChIKeyQJCBSCVGAKVLRE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds4

About 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide

4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide (PubChem CID 96666562) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
PubChem CID96666562
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)NCCCO
InChIInChI=1S/C16H25NO2/c1-11-9-13(16(3,4)5)10-12(2)14(11)15(19)17-7-6-8-18/h9-10,18H,6-8H2,1-5H3,(H,17,19)
InChIKeyQJCBSCVGAKVLRE-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
4-tert-butyl-N-(cyanomethyl)-2,6-dimethylbenzamide
CID 82478635
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
2-(4-hydroxybutylcarbamoyl)-3,6-dimethylbenzoic acid
CID 106840416
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064
N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
CID 96661088
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
CID 115217050
2,4,6-trimethyl-N-pent-4-ynylbenzamide
CID 103867023
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide (CID 96666562) is 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide is Cc1cc(C(C)(C)C)cc(C)c1C(=O)NCCCO.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide?
The InChIKey is QJCBSCVGAKVLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-13(16(3,4)5)10-12(2)14(11)15(19)17-7-6-8-18/h9-10,18H,6-8H2,1-5H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide?
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 96666562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).