N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide

C13H24N2O3 — CID 75519333

IUPACN-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide
SMILESCCC(NC(=O)C1OCCC1C)(C(N)=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-13(8(2)3,12(14)17)15-11(16)10-9(4)6-7-18-10/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyJIUCTPGQZYEEDI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.82
Rot. Bonds5

About N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide

N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide (PubChem CID 75519333) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide
PubChem CID75519333
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide
SMILESCCC(NC(=O)C1OCCC1C)(C(N)=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-13(8(2)3,12(14)17)15-11(16)10-9(4)6-7-18-10/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyJIUCTPGQZYEEDI-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide (CID 75519333) is N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide is CCC(NC(=O)C1OCCC1C)(C(N)=O)C(C)C.
What is the InChIKey of N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide?
The InChIKey is JIUCTPGQZYEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-13(8(2)3,12(14)17)15-11(16)10-9(4)6-7-18-10/h8-10H,5-7H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide?
N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 75519333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).