N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide

C15H23NO3 — CID 11821525

IUPACN-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
SMILESCC(=O)NOCCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11(2)15-7-6-14(10-12(15)3)18-8-5-9-19-16-13(4)17/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyUWKLDAYRUUHXEL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.96
Rot. Bonds7

About N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide

N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide (PubChem CID 11821525) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
PubChem CID11821525
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide
SMILESCC(=O)NOCCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11(2)15-7-6-14(10-12(15)3)18-8-5-9-19-16-13(4)17/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyUWKLDAYRUUHXEL-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]butan-1-amine;oxalic acid
CID 2924198
2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 63040113
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
(4-acetylphenyl) 4-(3-methyl-4-propan-2-ylphenoxy)butanoate
CID 2072458
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
(2S,3S)-3-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]pentanoic acid
CID 122099927
(4-chloro-3,5-dimethylphenyl) 4-(3-methyl-4-propan-2-ylphenoxy)butanoate
CID 2072435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide?
The IUPAC name of N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide (CID 11821525) is N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide.
What is the SMILES notation for N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide?
The canonical SMILES for N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide is CC(=O)NOCCCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide?
The InChIKey is UWKLDAYRUUHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)15-7-6-14(10-12(15)3)18-8-5-9-19-16-13(4)17/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide?
N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]acetamide is sourced from PubChem (CID 11821525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).