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

C16H27N3O2 — CID 79781473

IUPACN-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NCCC(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-4-8-17-10-14-5-6-15(11-19-14)21-12-16(20)18-9-7-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyWFFCVEMGUJLJFM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.12
Rot. Bonds10

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

N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 79781473) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
PubChem CID79781473
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NCCC(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-4-8-17-10-14-5-6-15(11-19-14)21-12-16(20)18-9-7-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyWFFCVEMGUJLJFM-UHFFFAOYSA-N
XLogP2.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.12
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-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
CID 79799979
N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781850
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79783379
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
3-[5-[2-(3-methylbutylamino)-2-oxoethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79790192
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776242
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (CID 79781473) is N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is CCCNCc1ccc(OCC(=O)NCCC(C)C)cn1.
What is the InChIKey of N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The InChIKey is WFFCVEMGUJLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-8-17-10-14-5-6-15(11-19-14)21-12-16(20)18-9-7-13(2)3/h5-6,11,13,17H,4,7-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 79781473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).