2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide

C17H26N2O3 — CID 120668843

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-14(6-4-13)16(18)17(20)19-9-2-10-22-15-7-11-21-12-8-15/h3-6,15-16H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyKOJHWZAYESOLCR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.70
Rot. Bonds7

About 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide

2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide (PubChem CID 120668843) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
PubChem CID120668843
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOC2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-3-5-14(6-4-13)16(18)17(20)19-9-2-10-22-15-7-11-21-12-8-15/h3-6,15-16H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyKOJHWZAYESOLCR-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
2-methyl-1-[(4-methylphenyl)methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667350
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide (CID 120668843) is 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide is Cc1ccc(C(N)C(=O)NCCCOC2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The InChIKey is KOJHWZAYESOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-3-5-14(6-4-13)16(18)17(20)19-9-2-10-22-15-7-11-21-12-8-15/h3-6,15-16H,2,7-12,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide is sourced from PubChem (CID 120668843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).