N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide

C15H22N2O3 — CID 43376662

IUPACN-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC2CCCCO2)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-14(13(16)8-11)17-15(18)10-19-9-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyLGJIAFFTWSIBQO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds5

About N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide

N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 43376662) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
PubChem CID43376662
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC2CCCCO2)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-11-5-6-14(13(16)8-11)17-15(18)10-19-9-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3,(H,17,18)
InChIKeyLGJIAFFTWSIBQO-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide (CID 43376662) is N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide is Cc1ccc(NC(=O)COCC2CCCCO2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is LGJIAFFTWSIBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-6-14(13(16)8-11)17-15(18)10-19-9-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide?
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 43376662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).