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

C26H28N2O — CID 121357490

IUPACN-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C26H28N2O/c1-27(25(28-19-11-12-20-28)23-17-9-4-10-18-23)26(29)24(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-10,13-18,24-25H,11-12,19-20H2,1H3/t25-/m1/s1
InChIKeyDMKIZEYMUAEDLA-RUZDIDTESA-N
MW384.52 g/mol
LogP5.07
Rot. Bonds6

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

N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide (PubChem CID 121357490) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide
PubChem CID121357490
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C26H28N2O/c1-27(25(28-19-11-12-20-28)23-17-9-4-10-18-23)26(29)24(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-10,13-18,24-25H,11-12,19-20H2,1H3/t25-/m1/s1
InChIKeyDMKIZEYMUAEDLA-RUZDIDTESA-N
XLogP5.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide?
The IUPAC name of N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide (CID 121357490) is N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide is CN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide?
The InChIKey is DMKIZEYMUAEDLA-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28N2O/c1-27(25(28-19-11-12-20-28)23-17-9-4-10-18-23)26(29)24(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-10,13-18,24-25H,11-12,19-20H2,1H3/t25-/m1/s1.
What are the key properties of N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide?
N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,2-diphenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide is sourced from PubChem (CID 121357490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).