N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide

C16H26N2O3 — CID 109005309

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
SMILESCOc1ccc(OCCNC(=O)CNCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)8-9-17-12-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyANXOGUMDMVINSZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.83
Rot. Bonds10

About N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide (PubChem CID 109005309) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
PubChem CID109005309
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
SMILESCOc1ccc(OCCNC(=O)CNCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)8-9-17-12-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19)
InChIKeyANXOGUMDMVINSZ-UHFFFAOYSA-N
XLogP1.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012798
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821761
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide (CID 109005309) is N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide is COc1ccc(OCCNC(=O)CNCCC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide?
The InChIKey is ANXOGUMDMVINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)8-9-17-12-16(19)18-10-11-21-15-6-4-14(20-3)5-7-15/h4-7,13,17H,8-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide is sourced from PubChem (CID 109005309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).