N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide

C10H15NO2 — CID 130677750

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
SMILESC#CC(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H15NO2/c1-5-9(12)11-7-6-8(13-4)10(7,2)3/h1,7-8H,6H2,2-4H3,(H,11,12)
InChIKeyKXJKMZKEJDTWFE-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.55
Rot. Bonds2

About N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide

N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide (PubChem CID 130677750) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
PubChem CID130677750
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
SMILESC#CC(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H15NO2/c1-5-9(12)11-7-6-8(13-4)10(7,2)3/h1,7-8H,6H2,2-4H3,(H,11,12)
InChIKeyKXJKMZKEJDTWFE-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
CID 103743813
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 130952253
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)-1-methylurea
CID 103743870
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide (CID 130677750) is N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide is C#CC(=O)NC1CC(OC)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide?
The InChIKey is KXJKMZKEJDTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-9(12)11-7-6-8(13-4)10(7,2)3/h1,7-8H,6H2,2-4H3,(H,11,12).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide?
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide has a molecular weight of 181.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide is sourced from PubChem (CID 130677750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).