(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

C20H30N2O3 — CID 95271771

IUPAC(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-16(25-15-19-9-5-6-12-24-19)20(23)21-18-10-11-22(14-18)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23)/t16-,18+,19-/m0/s1
InChIKeyDHUKUTNFYIBLCR-UHOSZYNNSA-N
MW346.47 g/mol
LogP2.35
Rot. Bonds7

About (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (PubChem CID 95271771) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
PubChem CID95271771
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-16(25-15-19-9-5-6-12-24-19)20(23)21-18-10-11-22(14-18)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23)/t16-,18+,19-/m0/s1
InChIKeyDHUKUTNFYIBLCR-UHOSZYNNSA-N
XLogP2.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
N-(1-benzylpyrrolidin-3-yl)-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]propanamide
CID 91172972
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
CID 103992937
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (CID 95271771) is (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The InChIKey is DHUKUTNFYIBLCR-UHOSZYNNSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(25-15-19-9-5-6-12-24-19)20(23)21-18-10-11-22(14-18)13-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23)/t16-,18+,19-/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).