N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide

C13H19NO3 — CID 82724045

IUPACN-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
SMILESCC(C)(C)ONC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-14-12(15)9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyLVGCLPDVDSHDKE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.30
Rot. Bonds5

About N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide

N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide (PubChem CID 82724045) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
PubChem CID82724045
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
SMILESCC(C)(C)ONC(=O)CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-14-12(15)9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyLVGCLPDVDSHDKE-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.30
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

N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
methyl N-(3-phenoxypropanoyl)carbamate
CID 15317639
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
(4-phenoxybutanoylamino) acetate
CID 175438575
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide (CID 82724045) is N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide is CC(C)(C)ONC(=O)CCOc1ccccc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide?
The InChIKey is LVGCLPDVDSHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-14-12(15)9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide?
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide is sourced from PubChem (CID 82724045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).