(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide

C12H23NO2 — CID 97329335

IUPAC(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
SMILESCCC[C@@H](C(=O)N[C@H]1CCOC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-11(9(2)3)12(14)13-10-6-7-15-8-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyWNGQOOBVCWGZKO-WDEREUQCSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds5

About (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide

(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide (PubChem CID 97329335) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
PubChem CID97329335
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
SMILESCCC[C@@H](C(=O)N[C@H]1CCOC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-11(9(2)3)12(14)13-10-6-7-15-8-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyWNGQOOBVCWGZKO-WDEREUQCSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
ethyl 3,3-dimethyl-2-(oxolan-3-ylcarbamoyl)butanoate
CID 116538202
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
2-(oxolan-3-ylamino)pentanoic acid
CID 63557369
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
N-cyclopropyl-2-(oxolan-3-ylamino)propanamide
CID 80713366
(2S)-2-(oxolan-3-ylcarbamoylamino)hexanoic acid
CID 107144880
1-butyl-3-(oxolan-3-yl)urea
CID 115755742

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide?
The IUPAC name of (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide (CID 97329335) is (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide.
What is the SMILES notation for (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide?
The canonical SMILES for (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide is CCC[C@@H](C(=O)N[C@H]1CCOC1)C(C)C.
What is the InChIKey of (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide?
The InChIKey is WNGQOOBVCWGZKO-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-11(9(2)3)12(14)13-10-6-7-15-8-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide?
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide is sourced from PubChem (CID 97329335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).