N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide

C14H20N2O3 — CID 110292109

IUPACN-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
SMILESCC(=O)NCCCNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)19-10-14(18)16-9-3-8-15-12(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySTAQINVABGAKFR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds7

About N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide

N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide (PubChem CID 110292109) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
PubChem CID110292109
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
SMILESCC(=O)NCCCNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)19-10-14(18)16-9-3-8-15-12(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySTAQINVABGAKFR-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
CID 95936669
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide (CID 110292109) is N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide is CC(=O)NCCCNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is STAQINVABGAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-4-6-13(7-5-11)19-10-14(18)16-9-3-8-15-12(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide?
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110292109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).