N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide

C13H22N2O2 — CID 119653495

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C13H22N2O2/c1-9-6-10(2)17-11(9)12(16)15(5)8-13(3,4)7-14/h6H,7-8,14H2,1-5H3
InChIKeyNRLPDQCNIYGPER-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.95
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide (PubChem CID 119653495) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
PubChem CID119653495
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C13H22N2O2/c1-9-6-10(2)17-11(9)12(16)15(5)8-13(3,4)7-14/h6H,7-8,14H2,1-5H3
InChIKeyNRLPDQCNIYGPER-UHFFFAOYSA-N
XLogP1.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide (CID 119653495) is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)N(C)CC(C)(C)CN)o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide?
The InChIKey is NRLPDQCNIYGPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-6-10(2)17-11(9)12(16)15(5)8-13(3,4)7-14/h6H,7-8,14H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide is sourced from PubChem (CID 119653495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).