2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C26H28N2O — CID 57190770

IUPAC2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-26(25(22-14-6-2-7-15-22)23-16-8-3-9-17-23)27-24(20-28-18-10-11-19-28)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H,27,29)/t24-/m1/s1
InChIKeyWRBWBHQPQJQJCK-XMMPIXPASA-N
MW384.52 g/mol
LogP4.77
Rot. Bonds7

About 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 57190770) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID57190770
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-26(25(22-14-6-2-7-15-22)23-16-8-3-9-17-23)27-24(20-28-18-10-11-19-28)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H,27,29)/t24-/m1/s1
InChIKeyWRBWBHQPQJQJCK-XMMPIXPASA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57020394
2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 42948492
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 57190770) is 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is O=C(N[C@H](CN1CCCC1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is WRBWBHQPQJQJCK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N2O/c29-26(25(22-14-6-2-7-15-22)23-16-8-3-9-17-23)27-24(20-28-18-10-11-19-28)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H,27,29)/t24-/m1/s1.
What are the key properties of 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 57190770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).