3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide

C14H20ClNO3 — CID 103876817

IUPAC3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-19-10-12(17)8-9-16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10H2,1H3,(H,16,18)
InChIKeyQELFBCGDYRXTNF-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.79
Rot. Bonds8

About 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide

3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103876817) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103876817
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-19-10-12(17)8-9-16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10H2,1H3,(H,16,18)
InChIKeyQELFBCGDYRXTNF-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
methyl 6-[3-(2-chlorophenyl)propanoylamino]hexanoate
CID 43404503
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
3-(4-aminophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 106242200
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103876817) is 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is QELFBCGDYRXTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-19-10-12(17)8-9-16-14(18)7-6-11-4-2-3-5-13(11)15/h2-5,12,17H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 285.77 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103876817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).