3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide

C12H24N2O2 — CID 119820393

IUPAC3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
SMILESCOCCC1(CNC(=O)CC(C)N)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)8-11(15)14-9-12(4-3-5-12)6-7-16-2/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyMWFQQOIXTDHXGE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds7

About 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide

3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide (PubChem CID 119820393) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
PubChem CID119820393
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
SMILESCOCCC1(CNC(=O)CC(C)N)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)8-11(15)14-9-12(4-3-5-12)6-7-16-2/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyMWFQQOIXTDHXGE-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
CID 164634508
N-(3-amino-2,2-difluoropropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 120410406
6-methoxy-4,4-dimethyl-N-propan-2-ylhexanamide
CID 155403899
4-(aminomethyl)-N-hexan-2-yloxane-4-carboxamide
CID 55049916
4-(aminomethyl)-N-heptan-2-yloxane-4-carboxamide
CID 61829530
4-(aminomethyl)-N-octan-2-yloxane-4-carboxamide
CID 61829919
2-(aminomethyl)-2-ethyl-N-(4-methoxybutyl)butanamide
CID 61830722
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide
CID 61831869
2-(aminomethyl)-N-(oxan-4-yl)-2-propylpentanamide
CID 61839925
2-(aminomethyl)-N-(4-methoxybutyl)-2-propylpentanamide
CID 61847329
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
4-(aminomethyl)-N-cyclobutyloxane-4-carboxamide
CID 62414364

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide (CID 119820393) is 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide is COCCC1(CNC(=O)CC(C)N)CCC1.
What is the InChIKey of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide?
The InChIKey is MWFQQOIXTDHXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(13)8-11(15)14-9-12(4-3-5-12)6-7-16-2/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide?
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide is sourced from PubChem (CID 119820393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).