1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide

C12H24N2O3 — CID 113463827

IUPAC1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
SMILESCOCCOCCCCNC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-7-14-11(15)12(13)5-4-6-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyJVAXGPWRIDHWDY-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds9

About 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide

1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide (PubChem CID 113463827) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
PubChem CID113463827
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
SMILESCOCCOCCCCNC(=O)C1(N)CCC1
InChIInChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-7-14-11(15)12(13)5-4-6-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyJVAXGPWRIDHWDY-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
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

1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
CID 114467928
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
methyl 7-[(1-aminocyclopropanecarbonyl)amino]heptanoate
CID 119701294
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
1-amino-N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclopentane-1-carboxamide
CID 114127451

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide (CID 113463827) is 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide is COCCOCCCCNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide?
The InChIKey is JVAXGPWRIDHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-9-10-17-8-3-2-7-14-11(15)12(13)5-4-6-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide?
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113463827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).