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

C14H20N2O3 — CID 61289356

IUPACN-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCc1cc(N)ccc1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-8-11(15)2-3-13(10)16-14(17)9-19-12-4-6-18-7-5-12/h2-3,8,12H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyLEPADIOHKDCSFT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds4

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

N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide (PubChem CID 61289356) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
PubChem CID61289356
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCc1cc(N)ccc1NC(=O)COC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-8-11(15)2-3-13(10)16-14(17)9-19-12-4-6-18-7-5-12/h2-3,8,12H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyLEPADIOHKDCSFT-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)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

N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6969782
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875683
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide (CID 61289356) is N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide is Cc1cc(N)ccc1NC(=O)COC1CCOCC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide?
The InChIKey is LEPADIOHKDCSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-11(15)2-3-13(10)16-14(17)9-19-12-4-6-18-7-5-12/h2-3,8,12H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide?
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide is sourced from PubChem (CID 61289356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).