N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide

C13H19NO3 — CID 81049875

IUPACN-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)CCO)c1
InChIInChI=1S/C13H19NO3/c1-10(6-7-15)14-13(16)9-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyNHWFJGGDZZVCLF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide

N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 81049875) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID81049875
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NC(C)CCO)c1
InChIInChI=1S/C13H19NO3/c1-10(6-7-15)14-13(16)9-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyNHWFJGGDZZVCLF-UHFFFAOYSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide (CID 81049875) is N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NC(C)CCO)c1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is NHWFJGGDZZVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(6-7-15)14-13(16)9-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 81049875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).