(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide

C15H26N2O4 — CID 2168654

IUPAC(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCCO1)CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)/t11-,12+
InChIKeyULYMEAMYCCCEAM-TXEJJXNPSA-N
MW298.38 g/mol
LogP0.60
Rot. Bonds6

About (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide

(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide (PubChem CID 2168654) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
PubChem CID2168654
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
SMILESCC(C)(CNC(=O)[C@@H]1CCCO1)CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)/t11-,12+
InChIKeyULYMEAMYCCCEAM-TXEJJXNPSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide (CID 2168654) is (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide is CC(C)(CNC(=O)[C@@H]1CCCO1)CNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide?
The InChIKey is ULYMEAMYCCCEAM-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,9-16-13(18)11-5-3-7-20-11)10-17-14(19)12-6-4-8-21-12/h11-12H,3-10H2,1-2H3,(H,16,18)(H,17,19)/t11-,12+.
What are the key properties of (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide?
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 2168654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).