2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C15H22FNO3 — CID 61039056

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CCCO)C(C)C)cc1F
InChIInChI=1S/C15H22FNO3/c1-11(2)17(7-4-8-18)15(19)10-12-5-6-14(20-3)13(16)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyVXRYDFLTRHYZSS-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61039056) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61039056
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CCCO)C(C)C)cc1F
InChIInChI=1S/C15H22FNO3/c1-11(2)17(7-4-8-18)15(19)10-12-5-6-14(20-3)13(16)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyVXRYDFLTRHYZSS-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylprop-2-enamide
CID 61039442
N-(3-hydroxypropyl)-N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 61038549
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61038556
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61039056) is 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CCCO)C(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is VXRYDFLTRHYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(2)17(7-4-8-18)15(19)10-12-5-6-14(20-3)13(16)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 283.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).