N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide

C16H25NO2 — CID 71787578

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12-6-5-7-13(10-12)11-15(19)17-9-8-14(18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyYWCXESHIHJIUFY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide

N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide (PubChem CID 71787578) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide
PubChem CID71787578
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12-6-5-7-13(10-12)11-15(19)17-9-8-14(18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyYWCXESHIHJIUFY-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide (CID 71787578) is N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCC(O)C(C)(C)C)c1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide?
The InChIKey is YWCXESHIHJIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-5-7-13(10-12)11-15(19)17-9-8-14(18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide?
N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 71787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).