2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide

C14H25NO3 — CID 112745014

IUPAC2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)C(C1CCC1)C1CCC1)OC
InChIInChI=1S/C14H25NO3/c1-17-12(18-2)9-15-14(16)13(10-5-3-6-10)11-7-4-8-11/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyMDQXQHXBFKOTRY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds7

About 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide

2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 112745014) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound Name2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide
PubChem CID112745014
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)C(C1CCC1)C1CCC1)OC
InChIInChI=1S/C14H25NO3/c1-17-12(18-2)9-15-14(16)13(10-5-3-6-10)11-7-4-8-11/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyMDQXQHXBFKOTRY-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
2,2-dimethoxyethylcarbamic acid
CID 18938836
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
1-(2,2-dimethoxyethyl)-3-piperidin-4-ylurea
CID 141131312
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
2,2-di(cyclobutyl)-N-(2-methylpropoxy)acetamide
CID 112745042
4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 61274922
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
2-amino-2-cyclopropyl-N-(2,2-dimethoxyethyl)propanamide
CID 61274918
2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide (CID 112745014) is 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide is COC(CNC(=O)C(C1CCC1)C1CCC1)OC.
What is the InChIKey of 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is MDQXQHXBFKOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-12(18-2)9-15-14(16)13(10-5-3-6-10)11-7-4-8-11/h10-13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide?
2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 112745014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).