N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide

C14H22N2O4 — CID 18070547

IUPACN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COCCOC(C)C
InChIInChI=1S/C14H22N2O4/c1-10(2)20-7-6-19-9-14(17)16-12-5-4-11(15)8-13(12)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyPPTCWIWJIBHTMZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.66
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide

N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide (PubChem CID 18070547) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
PubChem CID18070547
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COCCOC(C)C
InChIInChI=1S/C14H22N2O4/c1-10(2)20-7-6-19-9-14(17)16-12-5-4-11(15)8-13(12)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyPPTCWIWJIBHTMZ-UHFFFAOYSA-N
XLogP1.66
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 43612006
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54852575
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide (CID 18070547) is N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide is COc1cc(N)ccc1NC(=O)COCCOC(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide?
The InChIKey is PPTCWIWJIBHTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)20-7-6-19-9-14(17)16-12-5-4-11(15)8-13(12)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide has a molecular weight of 282.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide is sourced from PubChem (CID 18070547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).