(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide

C13H25NO2 — CID 40532521

IUPAC(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-10(2)8-14(9-11(3)4)13(15)12-6-5-7-16-12/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyVDSZZOQODSDCAO-LBPRGKRZSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds5

About (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide

(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 40532521) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide
PubChem CID40532521
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-10(2)8-14(9-11(3)4)13(15)12-6-5-7-16-12/h10-12H,5-9H2,1-4H3/t12-/m0/s1
InChIKeyVDSZZOQODSDCAO-LBPRGKRZSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide (CID 40532521) is (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide is CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is VDSZZOQODSDCAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-14(9-11(3)4)13(15)12-6-5-7-16-12/h10-12H,5-9H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide?
(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 40532521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).