N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide

C10H17NO — CID 176757917

IUPACN-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C12CC1C2
InChIInChI=1S/C10H17NO/c1-9(2,3)6-11-8(12)10-4-7(10)5-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyUGLUAGIUDHJNHU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds2

About N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide

N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 176757917) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID176757917
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C12CC1C2
InChIInChI=1S/C10H17NO/c1-9(2,3)6-11-8(12)10-4-7(10)5-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyUGLUAGIUDHJNHU-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 130778437
N-(2,2-dimethylpropyl)-1-fluorocyclobutane-1-carboxamide
CID 130735439
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
N-(2,2-dimethylpropyl)cycloprop-2-ene-1-carboxamide
CID 135387507
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
CID 134008139
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide (CID 176757917) is N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide is CC(C)(C)CNC(=O)C12CC1C2.
What is the InChIKey of N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is UGLUAGIUDHJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2,3)6-11-8(12)10-4-7(10)5-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide?
N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 176757917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).