N-[3-(4-methylphenoxy)propyl]acetamide

C12H17NO2 — CID 58966904

IUPACN-[3-(4-methylphenoxy)propyl]acetamide
SMILESCC(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-10-4-6-12(7-5-10)15-9-3-8-13-11(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyFLTFXMKUCPNVGL-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds5

About N-[3-(4-methylphenoxy)propyl]acetamide

N-[3-(4-methylphenoxy)propyl]acetamide (PubChem CID 58966904) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]acetamide
PubChem CID58966904
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[3-(4-methylphenoxy)propyl]acetamide
SMILESCC(=O)NCCCOc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-10-4-6-12(7-5-10)15-9-3-8-13-11(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyFLTFXMKUCPNVGL-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]acetamide?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]acetamide (CID 58966904) is N-[3-(4-methylphenoxy)propyl]acetamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]acetamide?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]acetamide is CC(=O)NCCCOc1ccc(C)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]acetamide?
The InChIKey is FLTFXMKUCPNVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-4-6-12(7-5-10)15-9-3-8-13-11(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(4-methylphenoxy)propyl]acetamide?
N-[3-(4-methylphenoxy)propyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 58966904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).