2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid

C36H56N2O3 — CID 3052207

IUPAC2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=C(NCCN1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O.C16H32O2/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);2-15H2,1H3,(H,17,18)
InChIKeyXRMKMERTTMGDFM-UHFFFAOYSA-N
MW564.86 g/mol
LogP8.58
Rot. Bonds20

About 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid

2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid (PubChem CID 3052207) has the molecular formula C36H56N2O3 and a molecular weight of 564.86 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid.

Molecular Properties

Compound Name2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid
PubChem CID3052207
Molecular FormulaC36H56N2O3
Molecular Weight564.86 g/mol
Exact Mass564.43
IUPAC Name2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=C(NCCN1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O.C16H32O2/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);2-15H2,1H3,(H,17,18)
InChIKeyXRMKMERTTMGDFM-UHFFFAOYSA-N
XLogP8.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
cumene;octanoic acid
CID 174815768
11-[[(2R)-2-(dodecanoylamino)-2-phenylacetyl]amino]undecanoic acid
CID 11261204
6-[[(2S)-2-(dodecanoylamino)-2-phenylacetyl]amino]hexanoic acid
CID 69170499
12-[[(2R)-2-(nonanoylamino)-2-phenylacetyl]amino]dodecanoic acid
CID 69170495
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329905
11-phenyloctadecanoic acid
CID 101320092
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
6-phenyloctadecanoic acid
CID 56981512

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid?
The IUPAC name of 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid (CID 3052207) is 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid.
What is the SMILES notation for 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid?
The canonical SMILES for 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid is CCCCCCCCCCCCCCCC(=O)O.O=C(NCCN1CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid?
The InChIKey is XRMKMERTTMGDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.C16H32O2/c23-20(21-13-16-22-14-7-8-15-22)19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23);2-15H2,1H3,(H,17,18).
What are the key properties of 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid?
2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid has a molecular weight of 564.86 g/mol, XLogP of 8.58, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2-pyrrolidin-1-ylethyl)acetamide;hexadecanoic acid is sourced from PubChem (CID 3052207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).