N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide

C14H28N2O2 — CID 114826446

IUPACN-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1COC(C)C1
InChIInChI=1S/C14H28N2O2/c1-5-6-16(10-14(3,4)9-15)13(17)12-7-11(2)18-8-12/h11-12H,5-10,15H2,1-4H3
InChIKeyYYSKORJZPOZZMS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide (PubChem CID 114826446) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide
PubChem CID114826446
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1COC(C)C1
InChIInChI=1S/C14H28N2O2/c1-5-6-16(10-14(3,4)9-15)13(17)12-7-11(2)18-8-12/h11-12H,5-10,15H2,1-4H3
InChIKeyYYSKORJZPOZZMS-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
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)-5-methyl-N-propyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide (CID 114826446) is N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide is CCCN(CC(C)(C)CN)C(=O)C1COC(C)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide?
The InChIKey is YYSKORJZPOZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-6-16(10-14(3,4)9-15)13(17)12-7-11(2)18-8-12/h11-12H,5-10,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 6 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)-5-methyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 114826446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).