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

C14H20N2O4 — CID 61288778

IUPACN-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCOc1ccc(NC(=O)COC2CCOCC2)c(N)c1
InChIInChI=1S/C14H20N2O4/c1-18-11-2-3-13(12(15)8-11)16-14(17)9-20-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyRQMHFXNWPIBPEW-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.41
Rot. Bonds5

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

N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide (PubChem CID 61288778) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
PubChem CID61288778
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
SMILESCOc1ccc(NC(=O)COC2CCOCC2)c(N)c1
InChIInChI=1S/C14H20N2O4/c1-18-11-2-3-13(12(15)8-11)16-14(17)9-20-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyRQMHFXNWPIBPEW-UHFFFAOYSA-N
XLogP1.41
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide (CID 61288778) is N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide is COc1ccc(NC(=O)COC2CCOCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide?
The InChIKey is RQMHFXNWPIBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-11-2-3-13(12(15)8-11)16-14(17)9-20-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide?
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide is sourced from PubChem (CID 61288778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).