N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

C15H22N2O4 — CID 112991225

IUPACN-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCOCCCNC(=O)CNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-12-4-6-13(7-5-12)21-11-15(19)17-10-14(18)16-8-3-9-20-2/h4-7H,3,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYXTUUAVQQDRLR-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.64
Rot. Bonds9

About N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (PubChem CID 112991225) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
PubChem CID112991225
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCOCCCNC(=O)CNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-12-4-6-13(7-5-12)21-11-15(19)17-10-14(18)16-8-3-9-20-2/h4-7H,3,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPYXTUUAVQQDRLR-UHFFFAOYSA-N
XLogP0.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82917921
N-(3-methoxypropyl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 26160095

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (CID 112991225) is N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is COCCCNC(=O)CNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is PYXTUUAVQQDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-4-6-13(7-5-12)21-11-15(19)17-10-14(18)16-8-3-9-20-2/h4-7H,3,8-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 112991225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).