N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide

C16H22N2O2 — CID 134270184

IUPACN-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCC[C@H]1C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-14(19)17-15(13-9-5-4-6-10-13)16(20)18-11-7-8-12(18)2/h4-6,9-10,12,15H,3,7-8,11H2,1-2H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyYGRZUZWYTVLWGW-IUODEOHRSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds4

About N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide

N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide (PubChem CID 134270184) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
PubChem CID134270184
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCC[C@H]1C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-14(19)17-15(13-9-5-4-6-10-13)16(20)18-11-7-8-12(18)2/h4-6,9-10,12,15H,3,7-8,11H2,1-2H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyYGRZUZWYTVLWGW-IUODEOHRSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide (CID 134270184) is N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide is CCC(=O)N[C@@H](C(=O)N1CCC[C@H]1C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide?
The InChIKey is YGRZUZWYTVLWGW-IUODEOHRSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-14(19)17-15(13-9-5-4-6-10-13)16(20)18-11-7-8-12(18)2/h4-6,9-10,12,15H,3,7-8,11H2,1-2H3,(H,17,19)/t12-,15-/m1/s1.
What are the key properties of N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide?
N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 134270184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).