N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide

C16H26N2O3 — CID 63057253

IUPACN-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(CNCCOC)c1
InChIInChI=1S/C16H26N2O3/c1-4-13(2)18-16(19)12-21-15-7-5-6-14(10-15)11-17-8-9-20-3/h5-7,10,13,17H,4,8-9,11-12H2,1-3H3,(H,18,19)
InChIKeyHUDIWOHQBFSYFH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.72
Rot. Bonds10

About N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide

N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide (PubChem CID 63057253) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
PubChem CID63057253
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(CNCCOC)c1
InChIInChI=1S/C16H26N2O3/c1-4-13(2)18-16(19)12-21-15-7-5-6-14(10-15)11-17-8-9-20-3/h5-7,10,13,17H,4,8-9,11-12H2,1-3H3,(H,18,19)
InChIKeyHUDIWOHQBFSYFH-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43278475
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide (CID 63057253) is N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide is CCC(C)NC(=O)COc1cccc(CNCCOC)c1.
What is the InChIKey of N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The InChIKey is HUDIWOHQBFSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-13(2)18-16(19)12-21-15-7-5-6-14(10-15)11-17-8-9-20-3/h5-7,10,13,17H,4,8-9,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 63057253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).