2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide

C14H27N3O3 — CID 81172527

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O3/c1-16(2)13(19)10-17(7-8-20-3)12(18)9-14(11-15)5-4-6-14/h4-11,15H2,1-3H3
InChIKeyGULLRJYKRZXBQQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.07
Rot. Bonds8

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 81172527) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
PubChem CID81172527
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O3/c1-16(2)13(19)10-17(7-8-20-3)12(18)9-14(11-15)5-4-6-14/h4-11,15H2,1-3H3
InChIKeyGULLRJYKRZXBQQ-UHFFFAOYSA-N
XLogP0.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 104677901
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338720
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 81172532
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
CID 55121481
6-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4,4-dimethylhexanamide
CID 65290444
methyl 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 81172635
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)prop-2-enamide
CID 60949543
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide (CID 81172527) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide is COCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GULLRJYKRZXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-16(2)13(19)10-17(7-8-20-3)12(18)9-14(11-15)5-4-6-14/h4-11,15H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 0.07, 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-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81172527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).