N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane

C25H38N2O — CID 91469677

IUPACN,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane
SMILESCC.CC.CN(C(=O)C(C)(C)c1ccccc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O.2C2H6/c1-21(2,17-12-8-5-9-13-17)20(24)23(3)19-15-22-14-18(19)16-10-6-4-7-11-16;2*1-2/h4-13,18-19,22H,14-15H2,1-3H3;2*1-2H3/t18-,19+;;/m0../s1
InChIKeySHMQMUCLIMJKIJ-DPSPSOFVSA-N
MW382.59 g/mol
LogP5.23
Rot. Bonds4

About N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane

N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane (PubChem CID 91469677) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane
PubChem CID91469677
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC NameN,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane
SMILESCC.CC.CN(C(=O)C(C)(C)c1ccccc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O.2C2H6/c1-21(2,17-12-8-5-9-13-17)20(24)23(3)19-15-22-14-18(19)16-10-6-4-7-11-16;2*1-2/h4-13,18-19,22H,14-15H2,1-3H3;2*1-2H3/t18-,19+;;/m0../s1
InChIKeySHMQMUCLIMJKIJ-DPSPSOFVSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane?
The IUPAC name of N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane (CID 91469677) is N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane.
What is the SMILES notation for N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane?
The canonical SMILES for N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane is CC.CC.CN(C(=O)C(C)(C)c1ccccc1)[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane?
The InChIKey is SHMQMUCLIMJKIJ-DPSPSOFVSA-N. The full InChI is InChI=1S/C21H26N2O.2C2H6/c1-21(2,17-12-8-5-9-13-17)20(24)23(3)19-15-22-14-18(19)16-10-6-4-7-11-16;2*1-2/h4-13,18-19,22H,14-15H2,1-3H3;2*1-2H3/t18-,19+;;/m0../s1.
What are the key properties of N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane?
N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane has a molecular weight of 382.59 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-phenyl-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]propanamide;ethane is sourced from PubChem (CID 91469677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).