3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

C15H22ClNO3 — CID 103861871

IUPAC3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-12(11-18)5-4-9-17-15(19)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyYSRCHIIKOIKXQR-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds9

About 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide

3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 103861871) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID103861871
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-12(11-18)5-4-9-17-15(19)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyYSRCHIIKOIKXQR-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 103861871) is 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is YSRCHIIKOIKXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-12(11-18)5-4-9-17-15(19)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide?
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).