N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide

C13H25NO2 — CID 2963302

IUPACN-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeySDVPMMHTAVLHMG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide

N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide (PubChem CID 2963302) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
PubChem CID2963302
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeySDVPMMHTAVLHMG-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
CID 2169098
N-(3-carbamoyl-2-methylpentan-3-yl)-3-methyloxolane-2-carboxamide
CID 75519333
N-tert-butyl-2-methyloxolane-2-carboxamide
CID 80176850
(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 130621516
N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 130643247
N-(tert-butyl)oxolan-2-ylcarboxamide
CID 4093003
N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
CID 20790227
N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide
CID 20790237
N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
CID 20790267
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
CID 58532990
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
CID 58533013

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide (CID 2963302) is N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1CCCO1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The InChIKey is SDVPMMHTAVLHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2963302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).