N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide

C16H25NO3 — CID 103940933

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-12-6-5-7-13(10-12)20-11-15(19)17-14(8-9-18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyCVICOEYNPBIESO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds6

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 103940933) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
PubChem CID103940933
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1
InChIInChI=1S/C16H25NO3/c1-12-6-5-7-13(10-12)20-11-15(19)17-14(8-9-18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyCVICOEYNPBIESO-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941084
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
(2S)-2-[[2-(3-methylphenoxy)acetyl]amino]hexanoic acid
CID 107144458
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide (CID 103940933) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is CVICOEYNPBIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-6-5-7-13(10-12)20-11-15(19)17-14(8-9-18)16(2,3)4/h5-7,10,14,18H,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 103940933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).