(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide

C15H28N2O2 — CID 95347844

IUPAC(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)N(C)C[C@@H]1CCCO1)N1CCCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)14(17-8-4-5-9-17)15(18)16(3)11-13-7-6-10-19-13/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyPXBWHXKDTFGTRH-UONOGXRCSA-N
MW268.40 g/mol
LogP1.74
Rot. Bonds5

About (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide

(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 95347844) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID95347844
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC(C)[C@H](C(=O)N(C)C[C@@H]1CCCO1)N1CCCC1
InChIInChI=1S/C15H28N2O2/c1-12(2)14(17-8-4-5-9-17)15(18)16(3)11-13-7-6-10-19-13/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyPXBWHXKDTFGTRH-UONOGXRCSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 119708785
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 107569428
N-methyl-N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61436099
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylthiourea
CID 115594187
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958

Frequently Asked Questions

What is the IUPAC name of (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide (CID 95347844) is (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide is CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCO1)N1CCCC1.
What is the InChIKey of (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is PXBWHXKDTFGTRH-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)14(17-8-4-5-9-17)15(18)16(3)11-13-7-6-10-19-13/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 268.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 95347844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).