N-[3-(2,4-dimethylphenoxy)propyl]propanamide

C14H21NO2 — CID 20669618

IUPACN-[3-(2,4-dimethylphenoxy)propyl]propanamide
SMILESCCC(=O)NCCCOc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-4-14(16)15-8-5-9-17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyFAGLNNYWRRRTPI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(2,4-dimethylphenoxy)propyl]propanamide

N-[3-(2,4-dimethylphenoxy)propyl]propanamide (PubChem CID 20669618) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenoxy)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenoxy)propyl]propanamide
PubChem CID20669618
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[3-(2,4-dimethylphenoxy)propyl]propanamide
SMILESCCC(=O)NCCCOc1ccc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-4-14(16)15-8-5-9-17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyFAGLNNYWRRRTPI-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
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

1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
CID 20661102
2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
CID 59000260
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
1-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenoxy)propyl]propanamide?
The IUPAC name of N-[3-(2,4-dimethylphenoxy)propyl]propanamide (CID 20669618) is N-[3-(2,4-dimethylphenoxy)propyl]propanamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenoxy)propyl]propanamide?
The canonical SMILES for N-[3-(2,4-dimethylphenoxy)propyl]propanamide is CCC(=O)NCCCOc1ccc(C)cc1C.
What is the InChIKey of N-[3-(2,4-dimethylphenoxy)propyl]propanamide?
The InChIKey is FAGLNNYWRRRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(16)15-8-5-9-17-13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(2,4-dimethylphenoxy)propyl]propanamide?
N-[3-(2,4-dimethylphenoxy)propyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenoxy)propyl]propanamide is sourced from PubChem (CID 20669618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).