2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide

C28H31N3O3 — CID 70302941

IUPAC2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H31N3O3/c1-30(19-18-21-12-15-25(16-13-21)31(33)34)26-17-14-24(20-26)28(27(29)32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,15-16,24,26H,14,17-20H2,1H3,(H2,29,32)
InChIKeyQUABWEGNJZXFJX-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.71
Rot. Bonds9

About 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide

2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide (PubChem CID 70302941) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide
PubChem CID70302941
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H31N3O3/c1-30(19-18-21-12-15-25(16-13-21)31(33)34)26-17-14-24(20-26)28(27(29)32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,15-16,24,26H,14,17-20H2,1H3,(H2,29,32)
InChIKeyQUABWEGNJZXFJX-UHFFFAOYSA-N
XLogP4.71
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[methyl(pyridin-4-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
CID 70303045
2-[(3S)-1-[2-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11466741
N-methyl-5-nitro-N-[2-(4-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 14835241
cyclopropyl N-tert-butyl-N-[2-(4-nitrophenyl)ethyl]carbamate
CID 174498668
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
CID 70303123
2-cyclopropyl-2-methyl-3-(4-nitrophenyl)propanoic acid
CID 83154447
2-hydroxy-2-(4-nitrophenyl)-2-phenylacetamide
CID 18510702
1-[methyl-[2-(4-nitrophenyl)ethyl]amino]propan-2-one
CID 90972444
N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
CID 142452006
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
2,2-diethyl-4-(4-nitrophenyl)butanamide
CID 174414905
2-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112717887

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide?
The IUPAC name of 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide (CID 70302941) is 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide is CN(CCc1ccc([N+](=O)[O-])cc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide?
The InChIKey is QUABWEGNJZXFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-30(19-18-21-12-15-25(16-13-21)31(33)34)26-17-14-24(20-26)28(27(29)32,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,15-16,24,26H,14,17-20H2,1H3,(H2,29,32).
What are the key properties of 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide?
2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide has a molecular weight of 457.57 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[2-(4-nitrophenyl)ethyl]amino]cyclopentyl]-2,2-diphenylacetamide is sourced from PubChem (CID 70302941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).