N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide

C15H24N2O2 — CID 55017381

IUPACN-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-13(2)16-10-6-9-15(18)17-11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyPJMIXURHFMLNSZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds9

About N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide

N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide (PubChem CID 55017381) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
PubChem CID55017381
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-13(2)16-10-6-9-15(18)17-11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyPJMIXURHFMLNSZ-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
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-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
3-methylsulfanyl-N-(2-phenoxyethyl)propanamide
CID 112794610
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide (CID 55017381) is N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is PJMIXURHFMLNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(2)16-10-6-9-15(18)17-11-12-19-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide?
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 55017381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).