2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C26H29N3O — CID 25341331

IUPAC2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H29N3O/c1-20(21-9-11-23(12-10-21)22-7-3-2-4-8-22)27-19-26(30)28-24-13-15-25(16-14-24)29-17-5-6-18-29/h2-4,7-16,20,27H,5-6,17-19H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyYOFIIIZNPROVKG-FQEVSTJZSA-N
MW399.54 g/mol
LogP5.24
Rot. Bonds7

About 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 25341331) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID25341331
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H29N3O/c1-20(21-9-11-23(12-10-21)22-7-3-2-4-8-22)27-19-26(30)28-24-13-15-25(16-14-24)29-17-5-6-18-29/h2-4,7-16,20,27H,5-6,17-19H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyYOFIIIZNPROVKG-FQEVSTJZSA-N
XLogP5.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 42914099
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 60537251
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606260
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 25341331) is 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is YOFIIIZNPROVKG-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H29N3O/c1-20(21-9-11-23(12-10-21)22-7-3-2-4-8-22)27-19-26(30)28-24-13-15-25(16-14-24)29-17-5-6-18-29/h2-4,7-16,20,27H,5-6,17-19H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 25341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).