N-(3-formylcyclobutyl)-3,3-dimethylbutanamide

C11H19NO2 — CID 176762376

IUPACN-(3-formylcyclobutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC(C=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)6-10(14)12-9-4-8(5-9)7-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyYHNMIXGBYDCIKT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds3

About N-(3-formylcyclobutyl)-3,3-dimethylbutanamide

N-(3-formylcyclobutyl)-3,3-dimethylbutanamide (PubChem CID 176762376) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-formylcyclobutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-formylcyclobutyl)-3,3-dimethylbutanamide
PubChem CID176762376
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3-formylcyclobutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC(C=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)6-10(14)12-9-4-8(5-9)7-13/h7-9H,4-6H2,1-3H3,(H,12,14)
InChIKeyYHNMIXGBYDCIKT-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-cyclopent-3-en-1-yl-3,3-dimethylbutanamide
CID 130669858
(3-formylcyclobutyl)carbamic acid
CID 134347794
4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010240
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
N-(1-hydroxypyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 135300785
tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
CID 141436704
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749

Frequently Asked Questions

What is the IUPAC name of N-(3-formylcyclobutyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-formylcyclobutyl)-3,3-dimethylbutanamide (CID 176762376) is N-(3-formylcyclobutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-formylcyclobutyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-formylcyclobutyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CC(C=O)C1.
What is the InChIKey of N-(3-formylcyclobutyl)-3,3-dimethylbutanamide?
The InChIKey is YHNMIXGBYDCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)6-10(14)12-9-4-8(5-9)7-13/h7-9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-(3-formylcyclobutyl)-3,3-dimethylbutanamide?
N-(3-formylcyclobutyl)-3,3-dimethylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylcyclobutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 176762376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).