(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide

C14H28N2O2 — CID 7437152

IUPAC(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)NC[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/t12-,13-/m0/s1
InChIKeyNCETZSSCAXGGDG-STQMWFEESA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide

(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide (PubChem CID 7437152) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide
PubChem CID7437152
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)NC[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/t12-,13-/m0/s1
InChIKeyNCETZSSCAXGGDG-STQMWFEESA-N
XLogP1.79
TPSA41.57 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide (CID 7437152) is (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@H](C)NC[C@@H]1CCCO1)C(C)C.
What is the InChIKey of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide?
The InChIKey is NCETZSSCAXGGDG-STQMWFEESA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide?
(2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 7437152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).