N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide

C14H21NO4 — CID 103876749

IUPACN-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-18-11-12(16)7-9-15-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyBSIPDGCXKYMCSR-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.97
Rot. Bonds9

About N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide

N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide (PubChem CID 103876749) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
PubChem CID103876749
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-18-11-12(16)7-9-15-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyBSIPDGCXKYMCSR-UHFFFAOYSA-N
XLogP0.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876817

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide (CID 103876749) is N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide is COCC(O)CCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide?
The InChIKey is BSIPDGCXKYMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-11-12(16)7-9-15-14(17)8-10-19-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide?
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide has a molecular weight of 267.32 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide is sourced from PubChem (CID 103876749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).