N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide

C19H28N2O2 — CID 129478609

IUPACN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1C[C@@H](O)Cc1ccccc1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-15(22)21(17-9-10-17)13-18-8-5-11-20(18)14-19(23)12-16-6-3-2-4-7-16/h2-4,6-7,17-19,23H,5,8-14H2,1H3/t18-,19+/m1/s1
InChIKeyVHMPSIYCEBJHRS-MOPGFXCFSA-N
MW316.44 g/mol
LogP2.07
Rot. Bonds7

About N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129478609) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129478609
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@H]1CCCN1C[C@@H](O)Cc1ccccc1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-15(22)21(17-9-10-17)13-18-8-5-11-20(18)14-19(23)12-16-6-3-2-4-7-16/h2-4,6-7,17-19,23H,5,8-14H2,1H3/t18-,19+/m1/s1
InChIKeyVHMPSIYCEBJHRS-MOPGFXCFSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129343926
N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 128967180
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide (CID 129478609) is N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@H]1CCCN1C[C@@H](O)Cc1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is VHMPSIYCEBJHRS-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(22)21(17-9-10-17)13-18-8-5-11-20(18)14-19(23)12-16-6-3-2-4-7-16/h2-4,6-7,17-19,23H,5,8-14H2,1H3/t18-,19+/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129478609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).