N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide

C13H19NO3 — CID 83030039

IUPACN-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
SMILESC[C@H](O)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(15)10-14-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyBSPPZEGTLRFJGP-NSHDSACASA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds7

About N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide

N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide (PubChem CID 83030039) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
PubChem CID83030039
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
SMILESC[C@H](O)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-11(15)10-14-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyBSPPZEGTLRFJGP-NSHDSACASA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
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

2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide (CID 83030039) is N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide is C[C@H](O)CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide?
The InChIKey is BSPPZEGTLRFJGP-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(15)10-14-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide?
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide is sourced from PubChem (CID 83030039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).