N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide

C14H21NO3 — CID 55104060

IUPACN-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO3/c1-3-8-18-9-7-14(17)15-13-6-4-5-12(10-13)11(2)16/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyVKZLAERUPYGPSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide

N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide (PubChem CID 55104060) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
PubChem CID55104060
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO3/c1-3-8-18-9-7-14(17)15-13-6-4-5-12(10-13)11(2)16/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyVKZLAERUPYGPSG-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.50
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-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
3-propoxy-N-[4-[1-(propylamino)ethyl]phenyl]propanamide
CID 62715274
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide
CID 97050782
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide (CID 55104060) is N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide?
The InChIKey is VKZLAERUPYGPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-8-18-9-7-14(17)15-13-6-4-5-12(10-13)11(2)16/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide?
N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 55104060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).