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

C15H22N2O4 — CID 62381831

IUPACN-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COCC1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-19-14-8-12(16)2-3-13(14)17-15(18)10-21-9-11-4-6-20-7-5-11/h2-3,8,11H,4-7,9-10,16H2,1H3,(H,17,18)
InChIKeyUIOHEIFIELCCNR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.66
Rot. Bonds6

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

N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide (PubChem CID 62381831) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
PubChem CID62381831
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COCC1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-19-14-8-12(16)2-3-13(14)17-15(18)10-21-9-11-4-6-20-7-5-11/h2-3,8,11H,4-7,9-10,16H2,1H3,(H,17,18)
InChIKeyUIOHEIFIELCCNR-UHFFFAOYSA-N
XLogP1.66
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.66
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-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 18070547
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylsulfanyl)propanamide
CID 62995880
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide (CID 62381831) is N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide is COc1cc(N)ccc1NC(=O)COCC1CCOCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide?
The InChIKey is UIOHEIFIELCCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-14-8-12(16)2-3-13(14)17-15(18)10-21-9-11-4-6-20-7-5-11/h2-3,8,11H,4-7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.66, 6 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-(oxan-4-ylmethoxy)acetamide is sourced from PubChem (CID 62381831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).