N-(2-methylpropoxy)-2-phenoxypropanamide

C13H19NO3 — CID 113304383

IUPACN-(2-methylpropoxy)-2-phenoxypropanamide
SMILESCC(C)CONC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)9-16-14-13(15)11(3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)
InChIKeyUDYVCFCKJMPXJG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.16
Rot. Bonds6

About N-(2-methylpropoxy)-2-phenoxypropanamide

N-(2-methylpropoxy)-2-phenoxypropanamide (PubChem CID 113304383) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methylpropoxy)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-2-phenoxypropanamide
PubChem CID113304383
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-methylpropoxy)-2-phenoxypropanamide
SMILESCC(C)CONC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)9-16-14-13(15)11(3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)
InChIKeyUDYVCFCKJMPXJG-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-(2-methylpropoxy)propanamide
CID 115409892
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
N-methyl-2-phenoxypropanamide
CID 4626974
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-2-phenoxypropanamide?
The IUPAC name of N-(2-methylpropoxy)-2-phenoxypropanamide (CID 113304383) is N-(2-methylpropoxy)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-methylpropoxy)-2-phenoxypropanamide?
The canonical SMILES for N-(2-methylpropoxy)-2-phenoxypropanamide is CC(C)CONC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(2-methylpropoxy)-2-phenoxypropanamide?
The InChIKey is UDYVCFCKJMPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)9-16-14-13(15)11(3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methylpropoxy)-2-phenoxypropanamide?
N-(2-methylpropoxy)-2-phenoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-2-phenoxypropanamide is sourced from PubChem (CID 113304383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).