N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide

C14H21NO3 — CID 103799183

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCOCC(CCO)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)9-14(17)15-13(7-8-16)10-18-2/h3-6,13,16H,7-10H2,1-2H3,(H,15,17)
InChIKeySYNNSSPHIGMATH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds7

About N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 103799183) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID103799183
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
SMILESCOCC(CCO)NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)9-14(17)15-13(7-8-16)10-18-2/h3-6,13,16H,7-10H2,1-2H3,(H,15,17)
InChIKeySYNNSSPHIGMATH-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 106151936
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide (CID 103799183) is N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide is COCC(CCO)NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is SYNNSSPHIGMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)9-14(17)15-13(7-8-16)10-18-2/h3-6,13,16H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 103799183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).