N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide

C16H27N3O2 — CID 79781895

IUPACN-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C16H27N3O2/c1-12(2)7-8-17-16(20)11-21-15-6-5-14(19-10-15)9-18-13(3)4/h5-6,10,12-13,18H,7-9,11H2,1-4H3,(H,17,20)
InChIKeySWRSSKPLVPEFJA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.12
Rot. Bonds9

About N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide

N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide (PubChem CID 79781895) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
PubChem CID79781895
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C16H27N3O2/c1-12(2)7-8-17-16(20)11-21-15-6-5-14(19-10-15)9-18-13(3)4/h5-6,10,12-13,18H,7-9,11H2,1-4H3,(H,17,20)
InChIKeySWRSSKPLVPEFJA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
CID 79799979
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
3-[5-[2-(3-methylbutylamino)-2-oxoethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79790192
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776242
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide (CID 79781895) is N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide is CC(C)CCNC(=O)COc1ccc(CNC(C)C)nc1.
What is the InChIKey of N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide?
The InChIKey is SWRSSKPLVPEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)7-8-17-16(20)11-21-15-6-5-14(19-10-15)9-18-13(3)4/h5-6,10,12-13,18H,7-9,11H2,1-4H3,(H,17,20).
What are the key properties of N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide?
N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.12, 9 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-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 79781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).