2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

C16H25N3O2 — CID 81172532

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)CC1(CN)CCC1
InChIInChI=1S/C16H25N3O2/c1-21-10-9-19(12-14-5-2-3-8-18-14)15(20)11-16(13-17)6-4-7-16/h2-3,5,8H,4,6-7,9-13,17H2,1H3
InChIKeyURQOIVBAPDWHHE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds8

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 81172532) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID81172532
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)CC1(CN)CCC1
InChIInChI=1S/C16H25N3O2/c1-21-10-9-19(12-14-5-2-3-8-18-14)15(20)11-16(13-17)6-4-7-16/h2-3,5,8H,4,6-7,9-13,17H2,1H3
InChIKeyURQOIVBAPDWHHE-UHFFFAOYSA-N
XLogP1.58
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-amino-N-[2-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 60954047
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 81172527
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981041
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96551195
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 81172532) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is COCCN(Cc1ccccn1)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is URQOIVBAPDWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-10-9-19(12-14-5-2-3-8-18-14)15(20)11-16(13-17)6-4-7-16/h2-3,5,8H,4,6-7,9-13,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 81172532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).