N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide

C14H28N2O3 — CID 119821952

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide
SMILESCCC1(CC)C(NC(=O)CNCCOC)CC1OC
InChIInChI=1S/C14H28N2O3/c1-5-14(6-2)11(9-12(14)19-4)16-13(17)10-15-7-8-18-3/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyZGOSQFBSHQPOJE-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.93
Rot. Bonds9

About N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide

N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 119821952) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide
PubChem CID119821952
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide
SMILESCCC1(CC)C(NC(=O)CNCCOC)CC1OC
InChIInChI=1S/C14H28N2O3/c1-5-14(6-2)11(9-12(14)19-4)16-13(17)10-15-7-8-18-3/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyZGOSQFBSHQPOJE-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide (CID 119821952) is N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide is CCC1(CC)C(NC(=O)CNCCOC)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is ZGOSQFBSHQPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-14(6-2)11(9-12(14)19-4)16-13(17)10-15-7-8-18-3/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119821952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).