N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide

C16H25NO3 — CID 111446516

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-5-12(2)16(3,19)11-17-15(18)10-13-8-6-7-9-14(13)20-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyFRAPPRMKVZUSLU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 111446516) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
PubChem CID111446516
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
SMILESCCC(C)C(C)(O)CNC(=O)Cc1ccccc1OC
InChIInChI=1S/C16H25NO3/c1-5-12(2)16(3,19)11-17-15(18)10-13-8-6-7-9-14(13)20-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyFRAPPRMKVZUSLU-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111486022
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide (CID 111446516) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide is CCC(C)C(C)(O)CNC(=O)Cc1ccccc1OC.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is FRAPPRMKVZUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12(2)16(3,19)11-17-15(18)10-13-8-6-7-9-14(13)20-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 111446516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).