N-(2-aminopropyl)-4-phenoxybutanamide

C13H20N2O2 — CID 82354182

IUPACN-(2-aminopropyl)-4-phenoxybutanamide
SMILESCC(N)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(14)10-15-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWZTXUCLTWPSEIG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

About N-(2-aminopropyl)-4-phenoxybutanamide

N-(2-aminopropyl)-4-phenoxybutanamide (PubChem CID 82354182) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-phenoxybutanamide
PubChem CID82354182
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-aminopropyl)-4-phenoxybutanamide
SMILESCC(N)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(14)10-15-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyWZTXUCLTWPSEIG-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
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-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-aminopropyl)-4-phenoxybutanamide (CID 82354182) is N-(2-aminopropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-aminopropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-aminopropyl)-4-phenoxybutanamide is CC(N)CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2-aminopropyl)-4-phenoxybutanamide?
The InChIKey is WZTXUCLTWPSEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(14)10-15-13(16)8-5-9-17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminopropyl)-4-phenoxybutanamide?
N-(2-aminopropyl)-4-phenoxybutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-phenoxybutanamide is sourced from PubChem (CID 82354182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).