2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide

C16H26N2O3 — CID 87029683

IUPAC2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCOCCOc1cccc(NCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)13(3)18-16(19)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyVIUPUAYANNCZFP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.28
Rot. Bonds9

About 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide

2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 87029683) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID87029683
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCOCCOc1cccc(NCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)13(3)18-16(19)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyVIUPUAYANNCZFP-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.28
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

2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
2-[3-(2-methoxyethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 54829653
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-[3-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 78914085
N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
CID 167880606
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide (CID 87029683) is 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide is COCCOc1cccc(NCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is VIUPUAYANNCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)13(3)18-16(19)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide?
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 87029683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).