N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide

C16H27N3O2 — CID 79783379

IUPACN-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)(C)CC)cn1
InChIInChI=1S/C16H27N3O2/c1-5-9-17-10-13-7-8-14(11-18-13)21-12-15(20)19-16(3,4)6-2/h7-8,11,17H,5-6,9-10,12H2,1-4H3,(H,19,20)
InChIKeyXEBYZJASLNVRRD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.26
Rot. Bonds9

About N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide

N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 79783379) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
PubChem CID79783379
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)(C)CC)cn1
InChIInChI=1S/C16H27N3O2/c1-5-9-17-10-13-7-8-14(11-18-13)21-12-15(20)19-16(3,4)6-2/h7-8,11,17H,5-6,9-10,12H2,1-4H3,(H,19,20)
InChIKeyXEBYZJASLNVRRD-UHFFFAOYSA-N
XLogP2.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.26
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-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781850
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776242
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (CID 79783379) is N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is CCCNCc1ccc(OCC(=O)NC(C)(C)CC)cn1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The InChIKey is XEBYZJASLNVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-17-10-13-7-8-14(11-18-13)21-12-15(20)19-16(3,4)6-2/h7-8,11,17H,5-6,9-10,12H2,1-4H3,(H,19,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 79783379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).