N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide

C15H22N2O2 — CID 103144399

IUPACN-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCCO2)c(C)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-5-3-4-6-19-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyLMNWXZSHAAUURX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.78
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide

N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide (PubChem CID 103144399) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
PubChem CID103144399
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCCO2)c(C)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-5-3-4-6-19-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyLMNWXZSHAAUURX-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
5-methyl-4-[[2-(oxan-2-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 126833546
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
2-[3-methyl-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 125120862
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide (CID 103144399) is N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide is Cc1cc(NC(=O)CC2CCCCO2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide?
The InChIKey is LMNWXZSHAAUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-14(11(2)7-13(10)16)17-15(18)9-12-5-3-4-6-19-12/h7-8,12H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide?
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 103144399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).