N,N-di(butan-2-yl)oxolane-2-carboxamide

C13H25NO2 — CID 3282442

IUPACN,N-di(butan-2-yl)oxolane-2-carboxamide
SMILESCCC(C)N(C(=O)C1CCCO1)C(C)CC
InChIInChI=1S/C13H25NO2/c1-5-10(3)14(11(4)6-2)13(15)12-8-7-9-16-12/h10-12H,5-9H2,1-4H3
InChIKeyNUNUDSKUPNYYGR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds5

About N,N-di(butan-2-yl)oxolane-2-carboxamide

N,N-di(butan-2-yl)oxolane-2-carboxamide (PubChem CID 3282442) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N-di(butan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)oxolane-2-carboxamide
PubChem CID3282442
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN,N-di(butan-2-yl)oxolane-2-carboxamide
SMILESCCC(C)N(C(=O)C1CCCO1)C(C)CC
InChIInChI=1S/C13H25NO2/c1-5-10(3)14(11(4)6-2)13(15)12-8-7-9-16-12/h10-12H,5-9H2,1-4H3
InChIKeyNUNUDSKUPNYYGR-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N,N-di(butan-2-yl)oxolane-2-carboxamide (CID 3282442) is N,N-di(butan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N,N-di(butan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N,N-di(butan-2-yl)oxolane-2-carboxamide is CCC(C)N(C(=O)C1CCCO1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)oxolane-2-carboxamide?
The InChIKey is NUNUDSKUPNYYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-10(3)14(11(4)6-2)13(15)12-8-7-9-16-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)oxolane-2-carboxamide?
N,N-di(butan-2-yl)oxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 3282442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).