N-(2,3-dihydroxypropyl)-4-phenoxybutanamide

C13H19NO4 — CID 66176649

IUPACN-(2,3-dihydroxypropyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(O)CO
InChIInChI=1S/C13H19NO4/c15-10-11(16)9-14-13(17)7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,11,15-16H,4,7-10H2,(H,14,17)
InChIKeyDPEILYDUADYITJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.31
Rot. Bonds8

About N-(2,3-dihydroxypropyl)-4-phenoxybutanamide

N-(2,3-dihydroxypropyl)-4-phenoxybutanamide (PubChem CID 66176649) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-phenoxybutanamide
PubChem CID66176649
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2,3-dihydroxypropyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(O)CO
InChIInChI=1S/C13H19NO4/c15-10-11(16)9-14-13(17)7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,11,15-16H,4,7-10H2,(H,14,17)
InChIKeyDPEILYDUADYITJ-UHFFFAOYSA-N
XLogP0.31
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-(2,3-dihydroxypropyl)-4-phenylbutanamide
CID 66177076
N-(2,3-dihydroxypropyl)-3-(4-fluorophenoxy)propanamide
CID 66175386
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-phenoxybutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-phenoxybutanamide (CID 66176649) is N-(2,3-dihydroxypropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-phenoxybutanamide?
The InChIKey is DPEILYDUADYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-10-11(16)9-14-13(17)7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,11,15-16H,4,7-10H2,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-4-phenoxybutanamide?
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide has a molecular weight of 253.30 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-phenoxybutanamide is sourced from PubChem (CID 66176649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).