N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide

C17H26N2O — CID 119653882

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H26N2O/c1-16(2,12-18)13-19(3)15(20)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,18H2,1-3H3
InChIKeyCOEFPDIZWCPUMB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 119653882) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
PubChem CID119653882
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H26N2O/c1-16(2,12-18)13-19(3)15(20)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,18H2,1-3H3
InChIKeyCOEFPDIZWCPUMB-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
CID 119656558
N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119654019
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide (CID 119653882) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide is CN(CC(C)(C)CN)C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is COEFPDIZWCPUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,12-18)13-19(3)15(20)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-13,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 119653882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).