3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide

C15H23NO3 — CID 103957156

IUPAC3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CC(C)(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10-5-6-11(7-13(10)18)14(19)16-9-12(17)8-15(2,3)4/h5-7,12,17-18H,8-9H2,1-4H3,(H,16,19)
InChIKeyCSTZYUDLZYQFSU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.23
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide

3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide (PubChem CID 103957156) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
PubChem CID103957156
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CC(C)(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10-5-6-11(7-13(10)18)14(19)16-9-12(17)8-15(2,3)4/h5-7,12,17-18H,8-9H2,1-4H3,(H,16,19)
InChIKeyCSTZYUDLZYQFSU-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107727577
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
CID 113237911
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide (CID 103957156) is 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)CC(C)(C)C)cc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide?
The InChIKey is CSTZYUDLZYQFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-5-6-11(7-13(10)18)14(19)16-9-12(17)8-15(2,3)4/h5-7,12,17-18H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide?
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide is sourced from PubChem (CID 103957156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).