2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide

C14H22N2O3 — CID 99787623

IUPAC2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide
SMILESC#C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H]1CCOC1
InChIInChI=1S/C14H22N2O3/c1-5-11(10-6-7-19-9-10)16-12(17)8-15-13(18)14(2,3)4/h1,10-11H,6-9H2,2-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1
InChIKeyQSDTWPNIDYKAEE-MNOVXSKESA-N
MW266.34 g/mol
LogP0.30
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide (PubChem CID 99787623) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide
PubChem CID99787623
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide
SMILESC#C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H]1CCOC1
InChIInChI=1S/C14H22N2O3/c1-5-11(10-6-7-19-9-10)16-12(17)8-15-13(18)14(2,3)4/h1,10-11H,6-9H2,2-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1
InChIKeyQSDTWPNIDYKAEE-MNOVXSKESA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide (CID 99787623) is 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide is C#C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H]1CCOC1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide?
The InChIKey is QSDTWPNIDYKAEE-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-11(10-6-7-19-9-10)16-12(17)8-15-13(18)14(2,3)4/h1,10-11H,6-9H2,2-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[[(1R)-1-[(3S)-oxolan-3-yl]prop-2-ynyl]amino]ethyl]propanamide is sourced from PubChem (CID 99787623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).